90
Coordinates from ORCA-job orca E -6507.902122369714
  N      -1.583629      0.882658      5.460909
  Mo     -2.756299      2.361708      4.867536
  N      -4.319878      2.056199      5.957574
  C      -4.254774      2.345375      7.372497
  C      -2.807657      2.198833      7.846035
  N      -1.905561      2.894991      6.916079
  C      -0.537758      2.374824      7.012979
  C      -0.493710      0.980578      6.389910
  C      -1.882484      4.345903      7.166458
  C      -1.891838      4.998907      5.777270
  N      -2.948631      4.325671      5.065389
  H       0.475785      0.819781      5.887571
  H      -0.586470      0.199168      7.162807
  H       0.112812      3.047232      6.448138
  H      -0.204104      2.352506      8.058331
  H      -2.047187      6.082357      5.844125
  H      -0.932438      4.830528      5.274106
  H      -2.795143      4.639489      7.689927
  H      -1.017862      4.634953      7.771126
  H      -4.877595      1.649476      7.951658
  H      -4.632468      3.364539      7.568540
  H      -2.569468      1.133535      7.823620
  H      -2.681825      2.577882      8.867927
  C      -3.723717     -6.546309      3.368110
  C      -2.862558     -5.324042      3.489079
  O      -1.716302     -5.374167      3.895306
  C      -3.490015     -4.024297      3.126538
  C      -4.644514     -3.924137      2.342382
  C      -5.173736     -2.676309      2.061170
  C      -4.573737     -1.546596      2.572106
  F      -5.143342     -0.345808      2.285623
  C      -3.415444     -1.595641      3.374181
  C      -2.857210     -0.400118      3.961191
  O      -3.277788      0.743343      3.658237
  C      -1.701959     -0.438064      4.916282
  C      -2.893256     -2.872902      3.617538
  C      -5.436611     12.044887      2.478497
  C      -4.778198     10.695374      2.372841
  O      -3.933095     10.461123      1.525830
  C      -5.198862      9.658165      3.347450
  C      -6.130393      9.896156      4.370507
  C      -6.480634      8.870503      5.231167
  C      -5.900814      7.626440      5.098700
  F      -6.321118      6.647312      5.943181
  C      -4.945779      7.344609      4.103921
  C      -4.276717      6.062521      3.910320
  O      -3.770303      5.765597      2.818889
  C      -4.176184      5.085740      5.085205
  C      -4.638664      8.394570      3.231112
  C      -8.237472     -5.546571      4.337866
  C      -7.143544     -4.619197      4.795708
  O      -6.065884     -5.049954      5.176512
  C      -7.425948     -3.167716      4.759552
  C      -8.653988     -2.635389      4.333311
  C      -8.833117     -1.265512      4.313447
  C      -7.812978     -0.423094      4.709041
  F      -8.065677      0.912549      4.649953
  C      -6.567280     -0.905534      5.145794
  C      -5.417163     -0.095668      5.561083
  O      -4.345050     -0.621052      5.852846
  C      -5.549093      1.426875      5.571448
  C      -6.422097     -2.296720      5.156531
  H      -3.186502     -7.411889      3.747244
  H      -4.630125     -6.386468      3.949491
  H      -3.996161     -6.717618      2.329836
  H      -5.120611     -4.802197      1.941760
  H      -6.058730     -2.568841      1.453019
  H      -0.781718     -0.739526      4.377901
  H      -1.882013     -1.173606      5.714041
  H      -2.003972     -2.984873      4.217297
  H      -5.220750     12.487580      3.448492
  H      -6.514266     11.943940      2.371854
  H      -5.053749     12.693210      1.694207
  H      -6.586092     10.863079      4.494596
  H      -7.211394      9.022918      6.010433
  H      -4.262321      5.648349      6.023604
  H      -5.035964      4.404197      5.026590
  H      -3.921194      8.209154      2.444128
  H      -9.120816     -5.414576      4.958463
  H      -7.895377     -6.575658      4.415899
  H      -8.502737     -5.329552      3.305882
  H      -9.460801     -3.274294      4.018891
  H      -9.765361     -0.830042      3.987595
  H      -6.386994      1.711064      6.226581
  H      -5.812596      1.723823      4.549303
  H      -5.475186     -2.704518      5.481605
  N      -1.306137      2.756055      3.358092
  H      -1.053128      3.741577      3.302476
  H      -1.626057      2.495230      2.426436
  H      -0.434228      2.250263      3.507459
90
Coordinates from ORCA-job orca E -6507.920141729809
  N      -1.544119      0.880577      5.451115
  Mo     -2.715933      2.382364      4.896273
  N      -4.305979      2.043851      5.972627
  C      -4.248830      2.323080      7.401522
  C      -2.806867      2.165338      7.887590
  N      -1.886032      2.878789      6.971046
  C      -0.510395      2.345750      7.060935
  C      -0.461262      0.962580      6.403321
  C      -1.867862      4.339565      7.239632
  C      -1.859233      5.015840      5.859863
  N      -2.915815      4.354997      5.116511
  H       0.518127      0.817363      5.909994
  H      -0.558160      0.158859      7.157820
  H       0.146738      3.034078      6.514632
  H      -0.181994      2.303537      8.110676
  H      -2.011799      6.102162      5.941549
  H      -0.884273      4.855805      5.371008
  H      -2.789274      4.625334      7.760275
  H      -1.007205      4.618017      7.863255
  H      -4.876675      1.619053      7.969832
  H      -4.629874      3.342067      7.609689
  H      -2.566630      1.097450      7.853342
  H      -2.686684      2.530835      8.919173
  C      -3.864490     -6.475496      3.309465
  C      -2.945456     -5.287320      3.412889
  O      -1.804525     -5.374296      3.847180
  C      -3.513613     -3.963108      3.011680
  C      -4.652401     -3.838193      2.200629
  C      -5.149149     -2.576859      1.895103
  C      -4.535110     -1.455746      2.419163
  F      -5.087270     -0.253045      2.123157
  C      -3.387935     -1.528762      3.249219
  C      -2.814791     -0.357722      3.877733
  O      -3.232857      0.811380      3.617355
  C      -1.669461     -0.431462      4.848280
  C      -2.892746     -2.819707      3.503222
  C      -5.435377     12.080964      2.423345
  C      -4.753277     10.734873      2.357370
  O      -3.863546     10.507411      1.548320
  C      -5.200276      9.681076      3.319724
  C      -6.182025      9.903677      4.301902
  C      -6.556017      8.873064      5.154802
  C      -5.944629      7.635206      5.047515
  F      -6.382188      6.650921      5.874106
  C      -4.942760      7.366573      4.095545
  C      -4.236166      6.081434      3.932503
  O      -3.685598      5.798968      2.867918
  C      -4.155250      5.100824      5.112918
  C      -4.612384      8.420931      3.231410
  C      -8.230408     -5.670773      4.523691
  C      -7.160365     -4.714167      4.994488
  O      -6.093762     -5.127416      5.440118
  C      -7.441086     -3.252722      4.883493
  C      -8.647570     -2.742285      4.367078
  C      -8.828669     -1.369638      4.264098
  C      -7.823589     -0.504821      4.668983
  F      -8.063693      0.822793      4.521223
  C      -6.602016     -0.960314      5.199162
  C      -5.456445     -0.128387      5.629151
  O      -4.420422     -0.669580      6.016587
  C      -5.540079      1.406584      5.565579
  C      -6.457622     -2.354677      5.291760
  H      -3.370924     -7.359380      3.721508
  H      -4.783197     -6.255479      3.875691
  H      -4.134459     -6.665250      2.263652
  H      -5.149295     -4.716384      1.799752
  H      -6.027996     -2.451727      1.266783
  H      -0.742526     -0.720451      4.309615
  H      -1.861729     -1.202519      5.614488
  H      -2.015653     -2.951772      4.132563
  H      -5.273275     12.538551      3.406971
  H      -6.515088     11.968868      2.268086
  H      -5.021952     12.732681      1.649501
  H      -6.662870     10.872098      4.402795
  H      -7.328995      9.015295      5.906799
  H      -4.280425      5.654295      6.056683
  H      -5.008004      4.407524      5.022994
  H      -3.852890      8.244257      2.472010
  H      -9.152462     -5.520464      5.097968
  H      -7.884368     -6.698462      4.660741
  H      -8.454608     -5.498666      3.464042
  H      -9.442444     -3.405230      4.038721
  H      -9.748318     -0.950331      3.861971
  H      -6.393601      1.722373      6.187212
  H      -5.774881      1.687085      4.525974
  H      -5.521828     -2.744533      5.687204
  N      -1.232779      2.827836      3.367809
  H      -0.983412      3.821553      3.332406
  H      -1.554941      2.587715      2.424257
  H      -0.355433      2.317883      3.504404
90
Coordinates from ORCA-job orca E -6507.927999442030
  N      -1.484263      0.858144      5.454370
  Mo     -2.679261      2.373870      4.970935
  N      -4.255594      2.027432      6.100607
  C      -4.138553      2.298223      7.539136
  C      -2.681455      2.139796      7.974284
  N      -1.782489      2.865101      7.023063
  C      -0.397360      2.320631      7.050660
  C      -0.370022      0.940793      6.380454
  C      -1.757195      4.340563      7.280144
  C      -1.787006      5.016914      5.899178
  N      -2.874205      4.365068      5.176001
  H       0.597801      0.804317      5.859034
  H      -0.437918      0.128402      7.132473
  H       0.238972      3.018511      6.485617
  H      -0.028290      2.275985      8.089136
  H      -1.928937      6.107298      5.983254
  H      -0.818364      4.854472      5.388958
  H      -2.663161      4.625723      7.833102
  H      -0.874580      4.614578      7.881635
  H      -4.748557      1.592304      8.127481
  H      -4.509118      3.318319      7.769545
  H      -2.432311      1.071666      7.927321
  H      -2.521695      2.502043      9.004710
  C      -3.681420     -6.545935      3.436832
  C      -2.831563     -5.297573      3.487178
  O      -1.657444     -5.318049      3.850042
  C      -3.483381     -3.991916      3.114000
  C      -4.677590     -3.913516      2.371462
  C      -5.237078     -2.668897      2.071453
  C      -4.627408     -1.514276      2.539167
  F      -5.235167     -0.342499      2.253086
  C      -3.428432     -1.539987      3.307494
  C      -2.827947     -0.366848      3.903552
  O      -3.266502      0.823042      3.684033
  C      -1.644026     -0.449966      4.825165
  C      -2.876332     -2.816406      3.553056
  C      -5.574640     12.019518      2.302725
  C      -4.859125     10.685850      2.279658
  O      -3.952912     10.458716      1.483255
  C      -5.284856      9.629862      3.265048
  C      -6.281709      9.845947      4.235590
  C      -6.639212      8.826525      5.116149
  C      -5.987292      7.600784      5.035802
  F      -6.395098      6.622318      5.881227
  C      -4.974453      7.338088      4.096472
  C      -4.225095      6.051470      3.968358
  O      -3.667515      5.765570      2.919069
  C      -4.121223      5.097216      5.176286
  C      -4.660205      8.379531      3.208558
  C      -8.397907     -5.524598      4.141536
  C      -7.303660     -4.630660      4.684433
  O      -6.235758     -5.100649      5.076174
  C      -7.546026     -3.149509      4.716382
  C      -8.744702     -2.564582      4.258670
  C      -8.898295     -1.180126      4.275587
  C      -7.859304     -0.382959      4.745606
  F      -8.053862      0.956028      4.723581
  C      -6.646886     -0.913141      5.224215
  C      -5.468208     -0.129933      5.702988
  O      -4.446062     -0.722436      6.048310
  C      -5.505876      1.409361      5.695890
  C      -6.532811     -2.315412      5.197127
  H      -3.103108     -7.398627      3.814450
  H      -4.582687     -6.394456      4.060057
  H      -4.008008     -6.757781      2.403573
  H      -5.169822     -4.820276      2.010909
  H      -6.158918     -2.581748      1.489660
  H      -0.737070     -0.733081      4.248532
  H      -1.806687     -1.241714      5.581858
  H      -1.952012     -2.911488      4.130766
  H      -5.439728     12.512777      3.281165
  H      -6.657774     11.883143      2.141129
  H      -5.165170     12.662142      1.513370
  H      -6.791477     10.810580      4.308906
  H      -7.425251      8.965242      5.864088
  H      -4.254310      5.662638      6.115996
  H      -4.969668      4.392014      5.101001
  H      -3.886757      8.204703      2.454870
  H      -9.320343     -5.413504      4.737494
  H      -8.065413     -6.569453      4.180379
  H      -8.638927     -5.253365      3.098879
  H      -9.562274     -3.183019      3.878446
  H      -9.814773     -0.700996      3.919456
  H      -6.349032      1.724683      6.336361
  H      -5.755175      1.732238      4.669256
  H      -5.598086     -2.762253      5.546564
  N      -1.228640      2.850760      3.331569
  H      -0.987327      3.849728      3.287120
  H      -1.601904      2.616576      2.401547
  H      -0.342519      2.339276      3.418426
90
Coordinates from ORCA-job orca E -6507.933246026185
  N      -1.505116      0.845669      5.462070
  Mo     -2.687307      2.384107      5.021012
  N      -4.281337      2.019256      6.136993
  C      -4.172464      2.282810      7.577039
  C      -2.723336      2.110192      8.020955
  N      -1.808640      2.838114      7.084739
  C      -0.430857      2.271111      7.104791
  C      -0.409627      0.902648      6.411173
  C      -1.774301      4.313128      7.351798
  C      -1.781286      5.006723      5.981807
  N      -2.864481      4.386307      5.228267
  H       0.566849      0.768207      5.907192
  H      -0.495778      0.077206      7.145590
  H       0.214081      2.975664      6.559737
  H      -0.068280      2.206974      8.143940
  H      -1.908424      6.097638      6.078274
  H      -0.806867      4.841594      5.485784
  H      -2.682837      4.594319      7.901298
  H      -0.896668      4.566778      7.968828
  H      -4.790349      1.575769      8.155145
  H      -4.540777      3.301773      7.811356
  H      -2.472471      1.043233      7.964859
  H      -2.565335      2.461615      9.054567
  C      -3.839423     -6.458593      3.252804
  C      -2.962022     -5.234679      3.354135
  O      -1.809756     -5.289189      3.775895
  C      -3.555067     -3.903768      2.970661
  C      -4.715370     -3.778904      2.183026
  C      -5.230156     -2.515038      1.882603
  C      -4.612783     -1.385411      2.399802
  F      -5.172582     -0.191532      2.118628
  C      -3.448507     -1.457330      3.212678
  C      -2.843579     -0.318025      3.853687
  O      -3.287523      0.882513      3.679306
  C      -1.674217     -0.438647      4.788564
  C      -2.934481     -2.752947      3.451657
  C      -5.542497     12.019733      2.239583
  C      -4.802192     10.702117      2.251934
  O      -3.854386     10.492845      1.501545
  C      -5.252271      9.633586      3.213299
  C      -6.298014      9.828821      4.133782
  C      -6.679599      8.806013      5.000146
  C      -5.998382      7.593896      4.948255
  F      -6.417562      6.605224      5.775987
  C      -4.941644      7.352522      4.056748
  C      -4.161854      6.072726      3.966907
  O      -3.554669      5.795981      2.945672
  C      -4.100047      5.127971      5.187779
  C      -4.600906      8.396282      3.184822
  C      -8.278846     -5.635179      4.377189
  C      -7.213511     -4.703422      4.907466
  O      -6.149805     -5.137022      5.345029
  C      -7.469980     -3.224967      4.870494
  C      -8.657479     -2.675019      4.349811
  C      -8.829679     -1.294130      4.297842
  C      -7.811249     -0.468417      4.765374
  F      -8.012541      0.866014      4.684417
  C      -6.611536     -0.964987      5.303447
  C      -5.453422     -0.142975      5.784141
  O      -4.449763     -0.705022      6.213585
  C      -5.509310      1.389147      5.710078
  C      -6.479058     -2.362318      5.344647
  H      -3.299968     -7.327544      3.647570
  H      -4.767399     -6.294761      3.827305
  H      -4.123159     -6.653625      2.204939
  H      -5.218266     -4.665361      1.792359
  H      -6.124241     -2.392138      1.268266
  H      -0.759967     -0.709521      4.219830
  H      -1.851217     -1.256621      5.512938
  H      -2.037732     -2.884340      4.060657
  H      -5.470359     12.515515      3.222249
  H      -6.613512     11.866142      2.027507
  H      -5.106496     12.669639      1.472197
  H      -6.827383     10.783091      4.179829
  H      -7.500593      8.929292      5.709394
  H      -4.266686      5.696410      6.120300
  H      -4.950949      4.429848      5.085576
  H      -3.791022      8.236894      2.468897
  H      -9.219845     -5.512817      4.939054
  H      -7.931987     -6.670685      4.470778
  H      -8.499591     -5.414541      3.319319
  H      -9.454231     -3.320389      3.973914
  H      -9.738020     -0.842419      3.894109
  H      -6.372879      1.723115      6.314458
  H      -5.735357      1.674193      4.668841
  H      -5.552120     -2.781481      5.741973
  N      -1.215851      2.902537      3.354246
  H      -0.979834      3.900820      3.325347
  H      -1.601336      2.687141      2.427582
  H      -0.332128      2.387745      3.422065
90
Coordinates from ORCA-job orca E -6507.936835283807
  N      -1.503001      0.835655      5.473427
  Mo     -2.693808      2.377240      5.089468
  N      -4.272799      2.008029      6.228971
  C      -4.142354      2.267370      7.662692
  C      -2.690113      2.088078      8.081217
  N      -1.790144      2.816088      7.134840
  C      -0.417534      2.241142      7.122353
  C      -0.408087      0.879183      6.419028
  C      -1.749022      4.288452      7.401664
  C      -1.763890      4.987368      6.037836
  N      -2.850745      4.386771      5.281245
  H       0.567053      0.746183      5.913003
  H      -0.493784      0.048178      7.146028
  H       0.219011      2.950692      6.576048
  H      -0.036651      2.167760      8.153868
  H      -1.880533      6.078267      6.142337
  H      -0.794057      4.820968      5.535765
  H      -2.650841      4.565159      7.962826
  H      -0.866307      4.533618      8.013401
  H      -4.755181      1.562184      8.247892
  H      -4.503309      3.286530      7.903645
  H      -2.436624      1.022923      8.017190
  H      -2.511963      2.436214      9.111746
  C      -3.863270     -6.419141      3.144855
  C      -2.997758     -5.194144      3.275860
  O      -1.838375     -5.253905      3.670887
  C      -3.603205     -3.858534      2.941680
  C      -4.783021     -3.718965      2.189409
  C      -5.299379     -2.451278      1.920599
  C      -4.665493     -1.331899      2.437032
  F      -5.219992     -0.129288      2.185193
  C      -3.486334     -1.418755      3.222268
  C      -2.866675     -0.291893      3.865158
  O      -3.333605      0.904502      3.734482
  C      -1.680869     -0.427637      4.775927
  C      -2.969671     -2.719080      3.427107
  C      -5.564211     11.952374      2.142022
  C      -4.795287     10.655282      2.194311
  O      -3.817029     10.462102      1.481879
  C      -5.254670      9.587321      3.147750
  C      -6.336574      9.768509      4.026246
  C      -6.727339      8.750020      4.891450
  C      -6.017877      7.554673      4.878078
  F      -6.441115      6.565454      5.704732
  C      -4.926910      7.328000      4.026000
  C      -4.116621      6.064378      3.977892
  O      -3.473074      5.787458      2.977194
  C      -4.072777      5.141599      5.215800
  C      -4.575472      8.366645      3.155230
  C      -8.211917     -5.604416      4.294528
  C      -7.166684     -4.681245      4.870183
  O      -6.105807     -5.116569      5.308603
  C      -7.437605     -3.206911      4.877082
  C      -8.617762     -2.654410      4.348214
  C      -8.806135     -1.276487      4.331768
  C      -7.806273     -0.455573      4.842389
  F      -8.023887      0.879177      4.798722
  C      -6.613245     -0.957634      5.390828
  C      -5.465226     -0.140635      5.907966
  O      -4.480092     -0.707058      6.367096
  C      -5.502039      1.388611      5.808183
  C      -6.465972     -2.351657      5.397837
  H      -3.306380     -7.295015      3.492988
  H      -4.781067     -6.291400      3.740220
  H      -4.166201     -6.575213      2.097872
  H      -5.297040     -4.596770      1.799015
  H      -6.205050     -2.315973      1.329882
  H      -0.773025     -0.682662      4.190535
  H      -1.841747     -1.263218      5.482327
  H      -2.058537     -2.863788      4.006445
  H      -5.542578     12.457578      3.119811
  H      -6.621408     11.772871      1.894851
  H      -5.116078     12.604699      1.385841
  H      -6.886569     10.709388      4.039833
  H      -7.574127      8.863030      5.567759
  H      -4.249382      5.725515      6.135520
  H      -4.930618      4.452486      5.113462
  H      -3.739359      8.218246      2.470830
  H      -9.162192     -5.509321      4.841522
  H      -7.855881     -6.637439      4.360303
  H      -8.419888     -5.352355      3.243414
  H      -9.396975     -3.296836      3.938524
  H      -9.709851     -0.824157      3.924462
  H      -6.363511      1.746594      6.401453
  H      -5.725703      1.659681      4.764320
  H      -5.544224     -2.772729      5.800235
  N      -1.252854      2.920721      3.366503
  H      -1.026842      3.919507      3.339763
  H      -1.674083      2.711791      2.455900
  H      -0.368296      2.406564      3.399617
90
Coordinates from ORCA-job orca E -6507.939653870167
  N      -1.516267      0.832887      5.487640
  Mo     -2.713292      2.377202      5.171893
  N      -4.271544      1.998467      6.333857
  C      -4.119025      2.244933      7.763860
  C      -2.661163      2.060766      8.152769
  N      -1.779389      2.792941      7.194130
  C      -0.411350      2.210905      7.143447
  C      -0.418669      0.856790      6.428053
  C      -1.727596      4.262809      7.466556
  C      -1.751371      4.971498      6.110550
  N      -2.844817      4.392290      5.351996
  H       0.554610      0.721974      5.918175
  H      -0.506367      0.019482      7.147884
  H       0.216843      2.925449      6.594082
  H      -0.007617      2.124736      8.165718
  H      -1.856087      6.062685      6.227599
  H      -0.785964      4.804644      5.598878
  H      -2.621777      4.536028      8.041522
  H      -0.837625      4.498129      8.072072
  H      -4.724030      1.537274      8.354492
  H      -4.474102      3.263245      8.018064
  H      -2.406642      0.996592      8.077021
  H      -2.460485      2.402059      9.181678
  C      -3.871531     -6.369507      3.000560
  C      -3.026490     -5.137613      3.173793
  O      -1.865916     -5.194549      3.564236
  C      -3.652723     -3.800714      2.891163
  C      -4.844303     -3.651544      2.160614
  C      -5.372194     -2.382352      1.930853
  C      -4.737956     -1.271304      2.463098
  F      -5.298292     -0.065325      2.240106
  C      -3.548150     -1.368176      3.231448
  C      -2.918087     -0.252131      3.885105
  O      -3.400891      0.940775      3.802855
  C      -1.711481     -0.408205      4.765202
  C      -3.021252     -2.670088      3.396936
  C      -5.560889     11.882607      2.010907
  C      -4.767950     10.604007      2.114090
  O      -3.759521     10.421245      1.442400
  C      -5.240941      9.543458      3.067003
  C      -6.358850      9.717108      3.900110
  C      -6.761461      8.707774      4.769930
  C      -6.027811      7.528565      4.806075
  F      -6.457545      6.546914      5.639613
  C      -4.902638      7.309246      3.997701
  C      -4.066454      6.063037      4.002809
  O      -3.382997      5.779551      3.029084
  C      -4.050105      5.165247      5.257977
  C      -4.537678      8.338088      3.121506
  C      -8.144187     -5.592071      4.234233
  C      -7.106624     -4.677699      4.834818
  O      -6.040474     -5.116609      5.255859
  C      -7.392489     -3.207877      4.889469
  C      -8.577162     -2.652173      4.376731
  C      -8.783374     -1.277641      4.404849
  C      -7.794284     -0.462280      4.942869
  F      -8.031864      0.870816      4.947748
  C      -6.595218     -0.968422      5.473363
  C      -5.454507     -0.152603      6.012285
  O      -4.475583     -0.716889      6.484561
  C      -5.497387      1.376780      5.915467
  C      -6.429997     -2.359235      5.437637
  H      -3.296988     -7.248249      3.309872
  H      -4.788060     -6.283294      3.604617
  H      -4.178791     -6.488790      1.950296
  H      -5.357737     -4.523177      1.756480
  H      -6.285932     -2.238533      1.354861
  H      -0.815028     -0.651896      4.157020
  H      -1.857473     -1.262858      5.452774
  H      -2.098566     -2.823991      3.954984
  H      -5.588690     12.403229      2.979893
  H      -6.604043     11.677185      1.728406
  H      -5.098227     12.532509      1.261688
  H      -6.927417     10.646114      3.874021
  H      -7.634760      8.816024      5.412031
  H      -4.235047      5.769712      6.162853
  H      -4.920116      4.490429      5.155032
  H      -3.674442      8.195275      2.471106
  H      -9.094426     -5.522318      4.784244
  H      -7.778723     -6.623205      4.267249
  H      -8.358365     -5.309950      3.192415
  H      -9.348074     -3.291098      3.947119
  H      -9.693346     -0.823950      4.013978
  H      -6.361062      1.736587      6.505807
  H      -5.726367      1.644303      4.872251
  H      -5.504302     -2.782381      5.827692
  N      -1.315231      2.953319      3.389634
  H      -1.103690      3.955121      3.370285
  H      -1.779246      2.752076      2.498516
  H      -0.428275      2.442651      3.380020
90
Coordinates from ORCA-job orca E -6507.942022665613
  N      -1.528870      0.840409      5.496439
  Mo     -2.741284      2.377522      5.254047
  N      -4.269448      1.981514      6.441816
  C      -4.091582      2.212487      7.869803
  C      -2.625204      2.029485      8.223640
  N      -1.770725      2.772344      7.249078
  C      -0.403137      2.193538      7.156452
  C      -0.423725      0.847504      6.427765
  C      -1.714653      4.239880      7.532611
  C      -1.754338      4.960861      6.184952
  N      -2.854151      4.394517      5.427842
  H       0.545832      0.714064      5.910106
  H      -0.508919      0.003385      7.140343
  H       0.210696      2.915997      6.601052
  H       0.027564      2.095964      8.166979
  H      -1.854032      6.051151      6.316661
  H      -0.793606      4.800414      5.660720
  H      -2.601415      4.505609      8.122597
  H      -0.817223      4.470573      8.129414
  H      -4.683487      1.499033      8.466682
  H      -4.442738      3.228143      8.140924
  H      -2.368633      0.966688      8.133908
  H      -2.400131      2.363231      9.250188
  C      -3.860135     -6.318953      2.855879
  C      -3.036221     -5.079256      3.069647
  O      -1.871055     -5.131206      3.447451
  C      -3.686272     -3.744307      2.835942
  C      -4.891510     -3.590118      2.129071
  C      -5.437183     -2.321580      1.943364
  C      -4.806112     -1.217768      2.493517
  F      -5.382542     -0.012039      2.309064
  C      -3.602588     -1.320590      3.239753
  C      -2.968772     -0.211682      3.906165
  O      -3.472186      0.973045      3.876038
  C      -1.736792     -0.380771      4.749337
  C      -3.059544     -2.620132      3.361421
  C      -5.528852     11.812999      1.873258
  C      -4.720917     10.549176      2.032979
  O      -3.683419     10.370950      1.405313
  C      -5.216003      9.499982      2.986169
  C      -6.369141      9.671264      3.770486
  C      -6.789153      8.672631      4.644406
  C      -6.039393      7.507053      4.734482
  F      -6.483785      6.537500      5.574643
  C      -4.880729      7.289066      3.973575
  C      -4.027070      6.059478      4.034895
  O      -3.299457      5.770064      3.093865
  C      -4.043658      5.184364      5.304406
  C      -4.497048      8.307158      3.092091
  C      -8.092757     -5.580316      4.171417
  C      -7.058028     -4.676371      4.793016
  O      -5.982934     -5.119617      5.186348
  C      -7.358804     -3.212879      4.900790
  C      -8.552110     -2.652524      4.413871
  C      -8.773057     -1.282374      4.491470
  C      -7.790963     -0.474867      5.052775
  F      -8.046018      0.854393      5.106486
  C      -6.583102     -0.985580      5.557915
  C      -5.448982     -0.175193      6.118461
  O      -4.467802     -0.741166      6.583593
  C      -5.497294      1.355693      6.034107
  C      -6.401867     -2.372417      5.472424
  H      -3.266175     -7.198586      3.123367
  H      -4.770765     -6.274742      3.473458
  H      -4.177174     -6.401490      1.804843
  H      -5.402451     -4.456756      1.711072
  H      -6.362161     -2.172713      1.386552
  H      -0.855661     -0.608057      4.112611
  H      -1.861124     -1.254344      5.418030
  H      -2.124800     -2.779157      3.897989
  H      -5.604196     12.350457      2.830557
  H      -6.556517     11.585208      1.553211
  H      -5.046660     12.456883      1.131121
  H      -6.950769     10.590009      3.702536
  H      -7.688562      8.779849      5.249923
  H      -4.235565      5.809420      6.194496
  H      -4.926075      4.525247      5.199590
  H      -3.607090      8.166056      2.478392
  H      -9.038703     -5.538484      4.731730
  H      -7.717692     -6.608582      4.165716
  H      -8.319608     -5.265211      3.141624
  H      -9.318306     -3.284861      3.966317
  H      -9.690933     -0.825943      4.122370
  H      -6.356581      1.711818      6.632879
  H      -5.740739      1.625072      4.994552
  H      -5.469626     -2.798709      5.843265
  N      -1.405070      2.993338      3.414314
  H      -1.216809      3.999614      3.405049
  H      -1.913852      2.796998      2.547299
  H      -0.513272      2.495087      3.355369
90
Coordinates from ORCA-job orca E -6507.944076603153
  N      -1.546066      0.857590      5.500449
  Mo     -2.779300      2.380705      5.330578
  N      -4.275084      1.959669      6.540662
  C      -4.073593      2.171250      7.969204
  C      -2.598102      1.995125      8.288807
  N      -1.773779      2.755010      7.300669
  C      -0.403647      2.186489      7.168028
  C      -0.433010      0.849172      6.423701
  C      -1.719157      4.220070      7.600982
  C      -1.774810      4.956503      6.262802
  N      -2.878593      4.397269      5.505346
  H       0.532851      0.719393      5.898393
  H      -0.515585     -0.002674      7.127635
  H       0.192828      2.919672      6.607514
  H       0.052620      2.078412      8.166332
  H      -1.875556      6.044776      6.410612
  H      -0.817125      4.807773      5.727998
  H      -2.600766      4.474918      8.203464
  H      -0.816315      4.448430      8.190914
  H      -4.649161      1.446868      8.568589
  H      -4.424868      3.181243      8.261052
  H      -2.337293      0.934638      8.182187
  H      -2.351160      2.319508      9.313378
  C      -3.847383     -6.260221      2.696134
  C      -3.041912     -5.014312      2.946159
  O      -1.872041     -5.060358      3.311002
  C      -3.717486     -3.683098      2.768088
  C      -4.939052     -3.524381      2.090266
  C      -5.504517     -2.257849      1.954464
  C      -4.875603     -1.162733      2.524173
  F      -5.470989      0.040488      2.385613
  C      -3.655702     -1.271553      3.242542
  C      -3.020504     -0.169781      3.923387
  O      -3.545158      1.004112      3.945071
  C      -1.762745     -0.346159      4.728410
  C      -3.094772     -2.566309      3.314857
  C      -5.458513     11.758255      1.737498
  C      -4.644694     10.506165      1.956505
  O      -3.578292     10.328932      1.378351
  C      -5.170516      9.469023      2.906348
  C      -6.358790      9.640667      3.636844
  C      -6.802981      8.652639      4.511169
  C      -6.044794      7.498178      4.656451
  F      -6.511451      6.542489      5.499709
  C      -4.852811      7.278381      3.948152
  C      -3.989012      6.063291      4.067648
  O      -3.214518      5.769208      3.164849
  C      -4.050968      5.204393      5.346476
  C      -4.443948      8.286481      3.065369
  C      -8.032539     -5.594655      4.139009
  C      -6.998074     -4.692822      4.766113
  O      -5.908000     -5.131576      5.122376
  C      -7.320510     -3.238762      4.925574
  C      -8.531164     -2.683118      4.476202
  C      -8.771575     -1.319639      4.600583
  C      -7.793771     -0.513161      5.170833
  F      -8.071030      0.808807      5.270350
  C      -6.569356     -1.018700      5.640011
  C      -5.440664     -0.207665      6.209085
  O      -4.452667     -0.770974      6.663552
  C      -5.504294      1.324583      6.145840
  C      -6.367716     -2.399619      5.507467
  H      -3.234051     -7.139234      2.919039
  H      -4.747239     -6.256785      3.331665
  H      -4.180581     -6.306536      1.647661
  H      -5.448008     -4.385027      1.657020
  H      -6.442784     -2.104446      1.421058
  H      -0.898724     -0.554026      4.062296
  H      -1.863335     -1.237101      5.378408
  H      -2.146433     -2.729712      3.826490
  H      -5.581974     12.311747      2.681009
  H      -6.468321     11.512142      1.375751
  H      -4.950766     12.394669      1.005807
  H      -6.947851     10.550806      3.526343
  H      -7.728369      8.760639      5.076753
  H      -4.252541      5.847279      6.222621
  H      -4.945320      4.562821      5.232333
  H      -3.526975      8.145334      2.492381
  H      -8.967433     -5.584162      4.719585
  H      -7.642668     -6.616654      4.094883
  H      -8.284587     -5.252889      3.123293
  H      -9.295023     -3.313605      4.021511
  H      -9.703338     -0.867241      4.261461
  H      -6.357313      1.668084      6.760308
  H      -5.766804      1.600205      5.112508
  H      -5.422607     -2.821926      5.850147
  N      -1.512730      3.040102      3.441824
  H      -1.356149      4.052023      3.445687
  H      -2.061928      2.844940      2.599820
  H      -0.614367      2.562936      3.332653
90
Coordinates from ORCA-job orca E -6507.945862729169
  N      -1.571416      0.876111      5.501605
  Mo     -2.824252      2.384500      5.393083
  N      -4.290454      1.940616      6.622573
  C      -4.067707      2.135623      8.052375
  C      -2.584538      1.967510      8.342100
  N      -1.787581      2.742624      7.342445
  C      -0.415042      2.184022      7.176411
  C      -0.453196      0.853046      6.420455
  C      -1.735338      4.205120      7.659107
  C      -1.803571      4.956119      6.329933
  N      -2.909639      4.400272      5.571313
  H       0.509714      0.723057      5.890346
  H      -0.538009     -0.003999      7.117887
  H       0.165147      2.925644      6.609721
  H       0.062861      2.068930      8.163681
  H      -1.908884      6.041855      6.492199
  H      -0.847619      4.820178      5.787688
  H      -2.613985      4.450046      8.269954
  H      -0.829042      4.431408      8.244665
  H      -4.627219      1.399560      8.652248
  H      -4.420601      3.139138      8.363412
  H      -2.320292      0.909337      8.220243
  H      -2.318713      2.284229      9.364245
  C      -3.848148     -6.200912      2.538071
  C      -3.057089     -4.952482      2.823875
  O      -1.881286     -4.994124      3.170293
  C      -3.753825     -3.625692      2.699453
  C      -4.990944     -3.462968      2.051138
  C      -5.574191     -2.199803      1.963161
  C      -4.945892     -1.113789      2.551056
  F      -5.558420      0.085215      2.457051
  C      -3.710553     -1.228399      3.241761
  C      -3.074975     -0.134443      3.937418
  O      -3.618137      1.028302      4.004679
  C      -1.795201     -0.314046      4.708556
  C      -3.133280     -2.516893      3.266087
  C      -5.369164     11.731149      1.628433
  C      -4.553047     10.490223      1.900222
  O      -3.459148     10.317716      1.374055
  C      -5.111715      9.458481      2.837623
  C      -6.334537      9.624805      3.510626
  C      -6.805497      8.641529      4.376498
  C      -6.041798      7.497912      4.571642
  F      -6.534022      6.550478      5.408610
  C      -4.816702      7.282064      3.919746
  C      -3.946072      6.080335      4.092368
  O      -3.119530      5.792727      3.233700
  C      -4.061709      5.226819      5.371673
  C      -4.380457      8.286295      3.044764
  C      -7.947628     -5.630751      4.131755
  C      -6.918994     -4.722312      4.760805
  O      -5.812132     -5.146465      5.081767
  C      -7.269418     -3.280045      4.963234
  C      -8.499821     -2.739565      4.548620
  C      -8.765681     -1.384796      4.711694
  C      -7.795433     -0.571362      5.285455
  F      -8.098722      0.740999      5.422470
  C      -6.552772     -1.061375      5.721769
  C      -5.434439     -0.240779      6.295726
  O      -4.433953     -0.794211      6.735670
  C      -5.519830      1.291199      6.245663
  C      -6.324968     -2.434462      5.549984
  H      -3.217378     -7.078679      2.712882
  H      -4.733090     -6.236992      3.193762
  H      -4.202599     -6.209611      1.495476
  H      -5.499222     -4.317252      1.604119
  H      -6.525140     -2.042844      1.453421
  H      -0.947424     -0.504282      4.017188
  H      -1.875399     -1.218385      5.342913
  H      -2.172569     -2.684083      3.753675
  H      -5.541427     12.294322      2.558851
  H      -6.358286     11.468887      1.222698
  H      -4.834734     12.364697      0.913237
  H      -6.928995     10.526277      3.361823
  H      -7.756522      8.745520      4.899237
  H      -4.275684      5.882181      6.236555
  H      -4.966507      4.604109      5.239343
  H      -3.436455      8.149780      2.515664
  H      -8.870829     -5.654246      4.730778
  H      -7.537727     -6.643088      4.054779
  H      -8.225537     -5.269733      3.129229
  H      -9.258616     -3.374460      4.091110
  H      -9.712923     -0.944104      4.400244
  H      -6.364761      1.620135      6.878357
  H      -5.804217      1.569126      5.218642
  H      -5.365388     -2.844959      5.866771
  N      -1.624684      3.074240      3.463656
  H      -1.502812      4.091371      3.477232
  H      -2.205773      2.873812      2.644784
  H      -0.720198      2.621583      3.310854
90
Coordinates from ORCA-job orca E -6507.947527327066
  N      -1.598089      0.891340      5.497261
  Mo     -2.867146      2.387507      5.433864
  N      -4.311910      1.926311      6.676880
  C      -4.074043      2.109698      8.108211
  C      -2.585905      1.947426      8.377389
  N      -1.808339      2.733093      7.369982
  C      -0.434360      2.180835      7.180921
  C      -0.481066      0.853539      6.418882
  C      -1.757878      4.192729      7.700906
  C      -1.831622      4.957396      6.380512
  N      -2.937150      4.403101      5.617596
  H       0.481380      0.717626      5.890117
  H      -0.576059     -0.005324      7.112737
  H       0.133711      2.927094      6.607970
  H       0.058651      2.061859      8.160098
  H      -1.944521      6.040109      6.556139
  H      -0.875099      4.835047      5.835690
  H      -2.636802      4.429658      8.314397
  H      -0.851104      4.415840      8.286820
  H      -4.621749      1.363913      8.706453
  H      -4.428927      3.107767      8.433176
  H      -2.320266      0.890908      8.244420
  H      -2.306591      2.259091      9.397333
  C      -3.845485     -6.151837      2.411032
  C      -3.065150     -4.900584      2.716139
  O      -1.885060     -4.935715      3.048179
  C      -3.781007     -3.580163      2.637098
  C      -5.032610     -3.417930      2.017191
  C      -5.633426     -2.160402      1.970049
  C      -5.006376     -1.080400      2.570743
  F      -5.636358      0.111695      2.516452
  C      -3.756698     -1.196338      3.235083
  C      -3.122312     -0.108938      3.943123
  O      -3.681205      1.043531      4.046593
  C      -1.826446     -0.288678      4.688199
  C      -3.163217     -2.476892      3.218473
  C      -5.287890     11.737327      1.562359
  C      -4.466865     10.508572      1.872919
  O      -3.348878     10.349537      1.395548
  C      -5.051602      9.471434      2.789047
  C      -6.305894      9.621214      3.406145
  C      -6.798831      8.633542      4.254625
  C      -6.027276      7.502406      4.488983
  F      -6.540632      6.553891      5.310880
  C      -4.771335      7.302151      3.892239
  C      -3.891473      6.114978      4.107968
  O      -3.011433      5.849208      3.295958
  C      -4.065344      5.250755      5.373945
  C      -4.312820      8.311560      3.034195
  C      -7.871463     -5.678443      4.152730
  C      -6.846898     -4.758085      4.772327
  O      -5.725123     -5.164421      5.062907
  C      -7.222635     -3.326600      5.004979
  C      -8.471625     -2.805313      4.621180
  C      -8.761648     -1.459010      4.811398
  C      -7.797979     -0.634806      5.381423
  F      -8.124746      0.668177      5.546158
  C      -6.538113     -1.105507      5.788467
  C      -5.429947     -0.270510      6.360180
  O      -4.419566     -0.810673      6.794733
  C      -5.539294      1.260136      6.317396
  C      -6.285813     -2.470975      5.589225
  H      -3.199855     -7.025675      2.547402
  H      -4.712671     -6.217256      3.087830
  H      -4.224118     -6.136005      1.377178
  H      -5.539883     -4.267969      1.560793
  H      -6.596373     -2.004058      1.483103
  H      -0.991343     -0.464825      3.978490
  H      -1.891968     -1.202256      5.310936
  H      -2.191597     -2.644190      3.684508
  H      -5.506975     12.300541      2.482992
  H      -6.254692     11.459447      1.115065
  H      -4.732098     12.376435      0.868582
  H      -6.907762     10.512537      3.227502
  H      -7.773156      8.724692      4.735429
  H      -4.296409      5.909921      6.232433
  H      -4.977384      4.646824      5.212653
  H      -3.343626      8.188503      2.548643
  H      -8.781196     -5.727755      4.770618
  H      -7.443708     -6.681561      4.053972
  H      -8.175750     -5.309921      3.160525
  H      -9.225909     -3.448030      4.166949
  H      -9.723411     -1.032953      4.524592
  H      -6.376908      1.575044      6.966303
  H      -5.843211      1.537180      5.295870
  H      -5.312882     -2.866954      5.883546
  N      -1.722777      3.089357      3.472696
  H      -1.635613      4.111138      3.490032
  H      -2.324294      2.876815      2.671818
  H      -0.812482      2.661361      3.287657
90
Coordinates from ORCA-job orca E -6507.949066533382
  N      -1.639399      0.907293      5.486581
  Mo     -2.923417      2.393731      5.460570
  N      -4.349093      1.916406      6.718497
  C      -4.095813      2.092237      8.150097
  C      -2.604057      1.933930      8.400966
  N      -1.842677      2.727465      7.387082
  C      -0.468734      2.179308      7.177182
  C      -0.525395      0.854929      6.412052
  C      -1.792834      4.183617      7.731478
  C      -1.871166      4.962761      6.421081
  N      -2.976692      4.409690      5.655103
  H       0.436711      0.710412      5.885539
  H      -0.632719     -0.004026      7.103962
  H       0.088101      2.928411      6.596910
  H       0.038000      2.057820      8.148865
  H      -1.993723      6.041830      6.610813
  H      -0.914376      4.855566      5.873735
  H      -2.672346      4.412992      8.346915
  H      -0.885746      4.401772      8.318550
  H      -4.632686      1.337921      8.747032
  H      -4.452753      3.085700      8.485699
  H      -2.338378      0.878676      8.258802
  H      -2.312111      2.242060      9.418320
  C      -3.862686     -6.103392      2.286545
  C      -3.092008     -4.852137      2.616114
  O      -1.907628     -4.881936      2.932288
  C      -3.822979     -3.538051      2.577625
  C      -5.087290     -3.377447      1.984176
  C      -5.705005     -2.127234      1.975884
  C      -5.079667     -1.052575      2.588182
  F      -5.725794      0.131356      2.571954
  C      -3.816457     -1.167993      3.226561
  C      -3.182585     -0.087366      3.945139
  O      -3.754563      1.056125      4.078609
  C      -1.873005     -0.264923      4.666466
  C      -3.207754     -2.440076      3.172266
  C      -5.174330     11.769773      1.515255
  C      -4.356848     10.547991      1.859739
  O      -3.218713     10.397289      1.430237
  C      -4.971575      9.505675      2.751079
  C      -6.253205      9.644384      3.312119
  C      -6.773752      8.653163      4.139451
  C      -6.003045      7.529146      4.409364
  F      -6.543992      6.579699      5.211506
  C      -4.720058      7.339539      3.868423
  C      -3.839194      6.159763      4.123021
  O      -2.906689      5.918772      3.362661
  C      -4.076853      5.279498      5.366362
  C      -4.233803      8.353393      3.030950
  C      -7.743444     -5.756443      4.196026
  C      -6.733846     -4.809982      4.801179
  O      -5.593200     -5.182797      5.061062
  C      -7.148652     -3.392763      5.056660
  C      -8.420254     -2.906439      4.702068
  C      -8.748332     -1.571942      4.913501
  C      -7.799717     -0.724683      5.475574
  F      -8.162325      0.565353      5.663223
  C      -6.518811     -1.160792      5.854653
  C      -5.428330     -0.299034      6.420741
  O      -4.401958     -0.816091      6.846113
  C      -5.571226      1.228588      6.378686
  C      -6.228349     -2.515392      5.634025
  H      -3.204848     -6.973080      2.385919
  H      -4.714312     -6.197462      2.979476
  H      -4.262428     -6.062502      1.261569
  H      -5.593229     -4.223592      1.519071
  H      -6.679034     -1.973049      1.510857
  H      -1.049229     -0.429225      3.941335
  H      -1.925529     -1.185056      5.280818
  H      -2.226487     -2.606108      3.618327
  H      -5.435394     12.331060      2.426025
  H      -6.119354     11.483702      1.028401
  H      -4.595484     12.413415      0.844836
  H      -6.855520     10.529698      3.106569
  H      -7.768670      8.735722      4.577777
  H      -4.327920      5.938518      6.220293
  H      -4.992992      4.694294      5.169330
  H      -3.242368      8.239454      2.589814
  H      -8.637387     -5.838509      4.833106
  H      -7.287146     -6.745064      4.079830
  H      -8.079536     -5.389751      3.213424
  H      -9.162998     -3.567025      4.254485
  H      -9.728155     -1.172719      4.650111
  H      -6.401462      1.526864      7.044410
  H      -5.897008      1.500618      5.362790
  H      -5.239022     -2.884929      5.907523
  N      -1.831409      3.098624      3.471115
  H      -1.775858      4.124874      3.489564
  H      -2.445572      2.870631      2.683795
  H      -0.915826      2.694920      3.260253
90
Coordinates from ORCA-job orca E -6507.950428494443
  N      -1.672462      0.930737      5.464634
  Mo     -2.977627      2.402611      5.478829
  N      -4.383543      1.897977      6.751708
  C      -4.113639      2.062943      8.182102
  C      -2.618720      1.911565      8.414262
  N      -1.875541      2.719959      7.399168
  C      -0.500977      2.182802      7.165719
  C      -0.562302      0.864793      6.393319
  C      -1.831676      4.170349      7.763106
  C      -1.919175      4.970341      6.467577
  N      -3.023275      4.417703      5.698327
  H       0.400139      0.717434      5.868570
  H      -0.678194      0.002847      7.080010
  H       0.040779      2.939279      6.580898
  H       0.020429      2.057627      8.129033
  H      -2.057404      6.043538      6.677724
  H      -0.963110      4.886648      5.915617
  H      -2.711770      4.385325      8.382666
  H      -0.924539      4.383445      8.351639
  H      -4.637840      1.297132      8.775385
  H      -4.475017      3.049876      8.530805
  H      -2.349480      0.859251      8.258906
  H      -2.315450      2.213190      9.430157
  C      -3.828813     -6.058146      2.181789
  C      -3.074762     -4.797844      2.514359
  O      -1.886107     -4.811165      2.813578
  C      -3.830259     -3.497058      2.513571
  C      -5.109977     -3.350437      1.951170
  C      -5.753604     -2.113970      1.981866
  C      -5.136898     -1.038279      2.601268
  F      -5.808637      0.130781      2.626319
  C      -3.857400     -1.140246      3.208389
  C      -3.229262     -0.062874      3.936045
  O      -3.818143      1.068842      4.100044
  C      -1.906393     -0.232175      4.633061
  C      -3.224485     -2.398451      3.116468
  C      -5.063318     11.790273      1.465049
  C      -4.252476     10.575189      1.844524
  O      -3.098972     10.427813      1.457970
  C      -4.894146      9.533850      2.718384
  C      -6.196910      9.668220      3.229100
  C      -6.743666      8.679395      4.041707
  C      -5.977915      7.561129      4.347461
  F      -6.545512      6.615070      5.134851
  C      -4.673906      7.376170      3.857319
  C      -3.796166      6.201246      4.150452
  O      -2.819380      5.978868      3.440423
  C      -4.096114      5.305588      5.365920
  C      -4.161083      8.388319      3.033953
  C      -7.685153     -5.822246      4.251699
  C      -6.675286     -4.857166      4.825572
  O      -5.518393     -5.205180      5.042612
  C      -7.111704     -3.451168      5.106016
  C      -8.402198     -2.988769      4.791409
  C      -8.752531     -1.663535      5.023958
  C      -7.806261     -0.802596      5.568865
  F      -8.187444      0.478634      5.779012
  C      -6.507887     -1.216217      5.910678
  C      -5.424652     -0.335995      6.462298
  O      -4.386083     -0.835970      6.878081
  C      -5.598050      1.188311      6.429441
  C      -6.194485     -2.561345      5.667958
  H      -3.152314     -6.916088      2.251293
  H      -4.658993     -6.179004      2.895384
  H      -4.256622     -6.009804      1.168998
  H      -5.609476     -4.197397      1.481155
  H      -6.741183     -1.971861      1.542826
  H      -1.092333     -0.378371      3.893521
  H      -1.940796     -1.159991      5.237072
  H      -2.231879     -2.553501      3.540300
  H      -5.359953     12.354175      2.362877
  H      -5.988530     11.496813      0.946248
  H      -4.464213     12.433838      0.812794
  H      -6.796151     10.548551      2.996133
  H      -7.754556      8.758729      4.441768
  H      -4.371132      5.961704      6.215504
  H      -5.011486      4.735232      5.129973
  H      -3.152415      8.277867      2.633243
  H      -8.554282     -5.925090      4.918916
  H      -7.212449     -6.800489      4.115875
  H      -8.062683     -5.459424      3.283054
  H      -9.142599     -3.660566      4.357437
  H      -9.746757     -1.282208      4.790824
  H      -6.419510      1.466132      7.114601
  H      -5.948287      1.460569      5.422181
  H      -5.191790     -2.913477      5.913204
  N      -1.937759      3.121079      3.467798
  H      -1.908189      4.150837      3.491336
  H      -2.556280      2.878662      2.687925
  H      -1.015963      2.743691      3.237100
90
Coordinates from ORCA-job orca E -6507.951577998811
  N      -1.726604      0.953631      5.450022
  Mo     -3.046642      2.415633      5.504482
  N      -4.429365      1.887459      6.799406
  C      -4.136701      2.045389      8.226109
  C      -2.638608      1.897773      8.434334
  N      -1.914019      2.716526      7.414565
  C      -0.542628      2.185550      7.152996
  C      -0.617043      0.872359      6.377446
  C      -1.868923      4.161890      7.793905
  C      -1.969540      4.979865      6.512313
  N      -3.078237      4.430130      5.747048
  H       0.343330      0.716775      5.851206
  H      -0.741513      0.009541      7.061680
  H      -0.015752      2.946024      6.559727
  H      -0.002151      2.057774      8.105521
  H      -2.119443      6.047486      6.742315
  H      -1.017507      4.916708      5.951011
  H      -2.744982      4.367329      8.422188
  H      -0.957587      4.367836      8.378521
  H      -4.647566      1.271480      8.820566
  H      -4.498694      3.027645      8.586818
  H      -2.369028      0.847424      8.267649
  H      -2.319616      2.194266      9.447033
  C      -3.845567     -6.003749      2.058569
  C      -3.109419     -4.741998      2.423958
  O      -1.916674     -4.744102      2.706524
  C      -3.884797     -3.453663      2.466720
  C      -5.177828     -3.316143      1.933559
  C      -5.841107     -2.092269      2.004963
  C      -5.229084     -1.019278      2.633631
  F      -5.917413      0.138489      2.695683
  C      -3.935625     -1.112184      3.211296
  C      -3.306771     -0.039388      3.944891
  O      -3.905195      1.083667      4.136047
  C      -1.969643     -0.202469      4.613745
  C      -3.284895     -2.358367      3.081233
  C      -4.927563     11.800612      1.391468
  C      -4.133241     10.587323      1.808190
  O      -2.970294     10.429627      1.455883
  C      -4.803771      9.559474      2.676916
  C      -6.120204      9.705437      3.147488
  C      -6.695522      8.729942      3.956211
  C      -5.944203      7.612163      4.297927
  F      -6.540542      6.679256      5.079720
  C      -4.627070      7.416283      3.849060
  C      -3.763340      6.239137      4.179403
  O      -2.750976      6.024133      3.517158
  C      -4.121326      5.337005      5.370628
  C      -4.084843      8.415877      3.029148
  C      -7.525270     -5.896705      4.268903
  C      -6.538275     -4.899842      4.827284
  O      -5.363077     -5.204079      5.008817
  C      -7.021149     -3.515932      5.141406
  C      -8.334133     -3.096976      4.862923
  C      -8.729190     -1.789997      5.126528
  C      -7.803310     -0.903887      5.666177
  F      -8.226604      0.358566      5.908672
  C      -6.483783     -1.275614      5.973835
  C      -5.421021     -0.367415      6.521199
  O      -4.364019     -0.841617      6.919899
  C      -5.632935      1.151961      6.495442
  C      -6.125574     -2.603123      5.701034
  H      -3.152124     -6.850408      2.087670
  H      -4.661521     -6.165266      2.780693
  H      -4.292622     -5.929815      1.055793
  H      -5.673046     -4.160874      1.455076
  H      -6.839794     -1.957594      1.589257
  H      -1.168623     -0.336941      3.857830
  H      -1.986003     -1.135362      5.210990
  H      -2.281597     -2.505602      3.481837
  H      -5.247157     12.376773      2.273484
  H      -5.839479     11.504983      0.850875
  H      -4.307730     12.433664      0.748366
  H      -6.708722     10.585066      2.886228
  H      -7.717112      8.818556      4.325872
  H      -4.417587      5.993768      6.213253
  H      -5.036133      4.781926      5.100037
  H      -3.065028      8.296040      2.660780
  H      -8.371718     -6.039828      4.957519
  H      -7.019204     -6.854439      4.109233
  H      -7.943087     -5.538682      3.315133
  H      -9.058132     -3.788911      4.432942
  H      -9.741791     -1.442339      4.921833
  H      -6.446130      1.406602      7.199265
  H      -6.009309      1.420653      5.496890
  H      -5.105974     -2.922391      5.920053
  N      -2.060671      3.140153      3.468828
  H      -2.043541      4.172094      3.493698
  H      -2.681221      2.883954      2.694830
  H      -1.134276      2.782414      3.224876
90
Coordinates from ORCA-job orca E -6507.952563933070
  N      -1.752730      0.983523      5.427223
  Mo     -3.093442      2.427383      5.525490
  N      -4.453530      1.864443      6.836394
  C      -4.142517      2.011912      8.259260
  C      -2.641566      1.872398      8.446917
  N      -1.936989      2.709138      7.428667
  C      -0.566508      2.193452      7.139492
  C      -0.645399      0.888168      6.355070
  C      -1.898466      4.147773      7.829400
  C      -2.016102      4.988337      6.565636
  N      -3.124252      4.439108      5.799681
  H       0.315070      0.731486      5.829147
  H      -0.775033      0.020592      7.032400
  H      -0.057193      2.962995      6.542572
  H      -0.007330      2.062283      8.080869
  H      -2.184222      6.047591      6.821432
  H      -1.067695      4.955323      5.995962
  H      -2.771092      4.336197      8.467420
  H      -0.984363      4.349646      8.411050
  H      -4.640344      1.228779      8.852814
  H      -4.506802      2.988069      8.633751
  H      -2.366731      0.826020      8.266048
  H      -2.311136      2.160870      9.458402
  C      -3.795167     -5.954482      1.963724
  C      -3.082066     -4.681203      2.334147
  O      -1.884835     -4.661702      2.596107
  C      -3.884245     -3.411167      2.412509
  C      -5.190285     -3.292632      1.907006
  C      -5.877630     -2.084923      2.013489
  C      -5.276426     -1.009594      2.648464
  F      -5.986704      0.133013      2.743894
  C      -3.970447     -1.083852      3.199233
  C      -3.348103     -0.012077      3.940134
  O      -3.960637      1.097889      4.161004
  C      -1.997865     -0.163973      4.582785
  C      -3.296614     -2.314001      3.034835
  C      -4.837213     11.789730      1.322125
  C      -4.051770     10.584612      1.776590
  O      -2.880476     10.423605      1.454915
  C      -4.741619      9.568810      2.644022
  C      -6.069842      9.718693      3.078588
  C      -6.664301      8.754284      3.886500
  C      -5.920417      7.642753      4.262784
  F      -6.536602      6.719531      5.040777
  C      -4.591557      7.443879      3.851417
  C      -3.735710      6.270829      4.215510
  O      -2.692010      6.067300      3.597960
  C      -4.142122      5.358027      5.379638
  C      -4.029296      8.432781      3.031797
  C      -7.506519     -5.944302      4.310796
  C      -6.515365     -4.936881      4.841064
  O      -5.329968     -5.223897      4.977834
  C      -7.005997     -3.561316      5.177487
  C      -8.330095     -3.155561      4.936146
  C      -8.733859     -1.855606      5.220120
  C      -7.804970     -0.963906      5.744270
  F      -8.235749      0.292022      6.008365
  C      -6.474722     -1.323546      6.016698
  C      -5.412666     -0.407578      6.552192
  O      -4.346849     -0.872671      6.937251
  C      -5.646343      1.108693      6.542674
  C      -6.106604     -2.643288      5.722895
  H      -3.079084     -6.782474      1.958082
  H      -4.586603     -6.152804      2.703120
  H      -4.272048     -5.874479      0.975382
  H      -5.676467     -4.139089      1.422638
  H      -6.886822     -1.964570      1.619474
  H      -1.208229     -0.279726      3.811691
  H      -1.990917     -1.104114      5.168910
  H      -2.283615     -2.446562      3.415211
  H      -5.180626     12.378174      2.186792
  H      -5.734888     11.484713      0.763399
  H      -4.202746     12.414582      0.685483
  H      -6.653005     10.592843      2.789094
  H      -7.695004      8.846202      4.228611
  H      -4.467658      6.009694      6.215609
  H      -5.049879      4.811574      5.070532
  H      -3.000269      8.309300      2.691973
  H      -8.328327     -6.100082      5.025718
  H      -6.993979     -6.894914      4.131020
  H      -7.960490     -5.588646      3.372931
  H      -9.056358     -3.852844      4.519045
  H      -9.755111     -1.518275      5.043953
  H      -6.451995      1.341374      7.262938
  H      -6.045232      1.381084      5.554205
  H      -5.078917     -2.953061      5.915416
  N      -2.153582      3.171643      3.474774
  H      -2.139619      4.204210      3.504234
  H      -2.769052      2.905870      2.700334
  H      -1.220838      2.831438      3.228729
90
Coordinates from ORCA-job orca E -6507.953405039233
  N      -1.793710      1.014741      5.413983
  Mo     -3.149199      2.442257      5.561450
  N      -4.480542      1.846214      6.892220
  C      -4.147427      1.986141      8.309918
  C      -2.643092      1.853155      8.471776
  N      -1.961057      2.705048      7.450998
  C      -0.594058      2.201573      7.129308
  C      -0.684078      0.903184      6.337336
  C      -1.924036      4.138099      7.870625
  C      -2.065039      4.999443      6.624490
  N      -3.176112      4.450564      5.862767
  H       0.273778      0.742166      5.807828
  H      -0.818035      0.031678      7.008889
  H      -0.102702      2.978108      6.526206
  H      -0.011952      2.067334      8.056441
  H      -2.248853      6.049894      6.906414
  H      -1.123489      4.996518      6.042625
  H      -2.788296      4.312282      8.523773
  H      -1.003261      4.336317      8.442904
  H      -4.631486      1.197136      8.907223
  H      -4.510081      2.957859      8.697523
  H      -2.365372      0.810055      8.277745
  H      -2.297355      2.134373      9.480370
  C      -3.814132     -5.890118      1.860847
  C      -3.116798     -4.615751      2.256573
  O      -1.917178     -4.586257      2.507433
  C      -3.936404     -3.360623      2.377109
  C      -5.253355     -3.251051      1.897797
  C      -5.953259     -2.054051      2.037872
  C      -5.353388     -0.981879      2.679094
  F      -6.072983      0.152807      2.801715
  C      -4.037766     -1.048556      3.206779
  C      -3.414252      0.018999      3.953186
  O      -4.033985      1.118086      4.204176
  C      -2.049184     -0.125901      4.564320
  C      -3.352492     -2.267593      3.009836
  C      -4.733310     11.753382      1.220733
  C      -3.963552     10.555471      1.719203
  O      -2.787487     10.380715      1.422600
  C      -4.674425      9.564587      2.598128
  C      -6.009976      9.730361      3.003665
  C      -6.624191      8.787474      3.822155
  C      -5.893490      7.680883      4.236883
  F      -6.530070      6.778110      5.022186
  C      -4.557374      7.467125      3.856658
  C      -3.715245      6.296665      4.256746
  O      -2.648761      6.092132      3.678159
  C      -4.167102      5.380328      5.399043
  C      -3.974562      8.435276      3.026057
  C      -7.395018     -5.992240      4.300903
  C      -6.418923     -4.968463      4.827481
  O      -5.226262     -5.232143      4.948392
  C      -6.936112     -3.610032      5.192700
  C      -8.271651     -3.229389      4.974783
  C      -8.700633     -1.944107      5.287526
  C      -7.785445     -1.041175      5.816073
  F      -8.241733      0.199334      6.109629
  C      -6.444034     -1.375538      6.064608
  C      -5.395372     -0.445525      6.602507
  O      -4.316949     -0.893500      6.972448
  C      -5.659109      1.065777      6.608025
  C      -6.050208     -2.681624      5.744031
  H      -3.082945     -6.703695      1.816117
  H      -4.588034     -6.127916      2.607300
  H      -4.311817     -5.789180      0.884682
  H      -5.736824     -4.094777      1.405974
  H      -6.970326     -1.938934      1.662705
  H      -1.276291     -0.228048      3.774255
  H      -2.018848     -1.071840      5.140333
  H      -2.331267     -2.393502      3.370166
  H      -5.091179     12.364204      2.063911
  H      -5.621684     11.439778      0.651717
  H      -4.083307     12.359793      0.581906
  H      -6.583105     10.599973      2.682072
  H      -7.660718      8.892140      4.142511
  H      -4.519916      6.029871      6.225606
  H      -5.067717      4.842674      5.055040
  H      -2.939893      8.299244      2.709107
  H      -8.205610     -6.169894      5.023654
  H      -6.865559     -6.930809      4.107357
  H      -7.867198     -5.638706      3.371273
  H      -8.987588     -3.935748      4.554819
  H      -9.731619     -1.627224      5.130762
  H      -6.459455      1.273779      7.342062
  H      -6.079766      1.337359      5.628524
  H      -5.013684     -2.971859      5.918688
  N      -2.256288      3.203376      3.494213
  H      -2.232589      4.235628      3.525456
  H      -2.868778      2.932915      2.719599
  H      -1.319776      2.870102      3.251464
90
Coordinates from ORCA-job orca E -6507.954073552037
  N      -1.828551      1.044539      5.394439
  Mo     -3.198771      2.453666      5.583745
  N      -4.502023      1.828160      6.931254
  C      -4.151971      1.967285      8.344204
  C      -2.644729      1.841968      8.484892
  N      -1.984400      2.705919      7.459819
  C      -0.619735      2.215440      7.111349
  C      -0.717445      0.920963      6.315500
  C      -1.951845      4.134727      7.894111
  C      -2.118118      5.013477      6.664316
  N      -3.227548      4.458775      5.904242
  H       0.238717      0.755080      5.784536
  H      -0.856193      0.047544      6.983568
  H      -0.145700      2.997427      6.501148
  H      -0.017305      2.082347      8.025638
  H      -2.321881      6.053792      6.971177
  H      -1.183360      5.044966      6.072494
  H      -2.807771      4.294328      8.561759
  H      -1.025202      4.334261      8.456137
  H      -4.624921      1.176948      8.948616
  H      -4.512288      2.937259      8.738518
  H      -2.363173      0.801594      8.282497
  H      -2.286800      2.119919      9.490279
  C      -3.834114     -5.842272      1.781739
  C      -3.150651     -4.569442      2.206102
  O      -1.948155     -4.530626      2.442605
  C      -3.983199     -3.326456      2.356418
  C      -5.308212     -3.225397      1.896992
  C      -6.017120     -2.036210      2.059639
  C      -5.417350     -0.964781      2.701851
  F      -6.143844      0.164034      2.842112
  C      -4.094576     -1.024390      3.212318
  C      -3.470653      0.041930      3.960286
  O      -4.097107      1.130914      4.235711
  C      -2.092277     -0.093528      4.542972
  C      -3.401611     -2.235101      2.994196
  C      -4.631339     11.748909      1.165837
  C      -3.877318     10.556537      1.701124
  O      -2.694059     10.376626      1.437433
  C      -4.612421      9.577813      2.573496
  C      -5.958445      9.748357      2.941157
  C      -6.594031      8.814165      3.753384
  C      -5.875864      7.711193      4.198555
  F      -6.534804      6.817043      4.974650
  C      -4.529340      7.493025      3.857586
  C      -3.699131      6.325141      4.284340
  O      -2.603430      6.136534      3.755729
  C      -4.193374      5.395000      5.396994
  C      -3.924629      8.453678      3.033071
  C      -7.304216     -6.042552      4.307868
  C      -6.340692     -5.009027      4.839040
  O      -5.141633     -5.252069      4.938886
  C      -6.876767     -3.661777      5.217864
  C      -8.220615     -3.301710      5.015646
  C      -8.668161     -2.027079      5.345255
  C      -7.763968     -1.112934      5.873335
  F      -8.240720      0.115273      6.185145
  C      -6.413876     -1.425217      6.103592
  C      -5.375293     -0.481760      6.637662
  O      -4.285911     -0.913129      6.995470
  C      -5.666430      1.024301      6.655166
  C      -6.001223     -2.722131      5.767901
  H      -3.090710     -6.641876      1.699969
  H      -4.591785     -6.117522      2.531967
  H      -4.349486     -5.719089      0.817262
  H      -5.790172     -4.068570      1.402626
  H      -7.040224     -1.926261      1.699343
  H      -1.336182     -0.185221      3.735341
  H      -2.039020     -1.042351      5.112280
  H      -2.374581     -2.355304      3.340104
  H      -5.013031     12.370703      1.990525
  H      -5.503337     11.428559      0.575316
  H      -3.962772     12.346775      0.538134
  H      -6.522021     10.614374      2.593742
  H      -7.638685      8.922953      4.045070
  H      -4.581936      6.034977      6.214841
  H      -5.080052      4.862051      5.011318
  H      -2.881818      8.314322      2.745567
  H      -8.108410     -6.238691      5.033059
  H      -6.762207     -6.971320      4.101999
  H      -7.786319     -5.686847      3.383939
  H      -8.928640     -4.016709      4.596526
  H      -9.706445     -1.727424      5.202440
  H      -6.462864      1.210635      7.399639
  H      -6.105178      1.292694      5.682922
  H      -4.958199     -2.996292      5.929891
  N      -2.341728      3.222006      3.503491
  H      -2.296718      4.253406      3.529960
  H      -2.949450      2.950156      2.726224
  H      -1.403861      2.881441      3.275281
90
Coordinates from ORCA-job orca E -6507.954563960021
  N      -1.862246      1.084883      5.376997
  Mo     -3.250227      2.467090      5.623136
  N      -4.515187      1.800952      6.987222
  C      -4.143701      1.933398      8.394529
  C      -2.632850      1.821935      8.506744
  N      -2.004548      2.706559      7.478798
  C      -0.641719      2.237974      7.095193
  C      -0.743187      0.951099      6.288354
  C      -1.981799      4.129243      7.934495
  C      -2.184334      5.029288      6.726349
  N      -3.290846      4.466828      5.966866
  H       0.208986      0.790055      5.749134
  H      -0.877446      0.071188      6.948576
  H      -0.192202      3.031493      6.480998
  H      -0.015576      2.104824      7.993312
  H      -2.410868      6.056176      7.062785
  H      -1.259887      5.102102      6.122597
  H      -2.825511      4.266142      8.622453
  H      -1.047177      4.333092      8.481201
  H      -4.600756      1.137823      9.004132
  H      -4.502905      2.898810      8.800934
  H      -2.342962      0.787142      8.288522
  H      -2.259495      2.093116      9.508394
  C      -3.853623     -5.770828      1.687515
  C      -3.182509     -4.499598      2.136130
  O      -1.979686     -4.453929      2.370014
  C      -4.028351     -3.270782      2.322452
  C      -5.361960     -3.178357      1.886494
  C      -6.081262     -1.999435      2.078994
  C      -5.482007     -0.930871      2.726119
  F      -6.217886      0.188502      2.893409
  C      -4.150574     -0.983377      3.215055
  C      -3.526590      0.078696      3.968591
  O      -4.161297      1.154409      4.275853
  C      -2.133378     -0.046870      4.517873
  C      -3.448916     -2.183104      2.968626
  C      -4.520947     11.697266      1.076009
  C      -3.788701     10.510720      1.653477
  O      -2.601441     10.316462      1.419318
  C      -4.549820      9.557438      2.531459
  C      -5.902747      9.743811      2.865037
  C      -6.560951      8.830693      3.683163
  C      -5.860132      7.733147      4.167582
  F      -6.542235      6.859986      4.947070
  C      -4.506902      7.500054      3.863095
  C      -3.692539      6.337234      4.328716
  O      -2.580687      6.139503      3.837470
  C      -4.232124      5.404850      5.417874
  C      -3.879459      8.440303      3.031451
  C      -7.224996     -6.085364      4.305457
  C      -6.268348     -5.041916      4.830526
  O      -5.066309     -5.272906      4.921961
  C      -6.819635     -3.707666      5.232163
  C      -8.171125     -3.365484      5.049564
  C      -8.633959     -2.102951      5.402711
  C      -7.738759     -1.182121      5.934670
  F      -8.233100      0.032413      6.270578
  C      -6.380851     -1.475568      6.144334
  C      -5.349897     -0.523327      6.677914
  O      -4.246873     -0.940182      7.010430
  C      -5.667220      0.976678      6.719991
  C      -5.952740     -2.761599      5.785088
  H      -3.100502     -6.557586      1.575785
  H      -4.597373     -6.077135      2.439455
  H      -4.383006     -5.629359      0.733275
  H      -5.842892     -4.019895      1.388375
  H      -7.111505     -1.895554      1.737742
  H      -1.397169     -0.121327      3.690262
  H      -2.053327     -1.000927      5.074622
  H      -2.415609     -2.297994      3.297357
  H      -4.917450     12.338852      1.878261
  H      -5.380955     11.370494      0.471397
  H      -3.833095     12.276929      0.452066
  H      -6.452676     10.605149      2.485520
  H      -7.611046      8.952144      3.949419
  H      -4.654094      6.041177      6.221808
  H      -5.103911      4.875054      4.995010
  H      -2.831055      8.289926      2.771077
  H      -8.022304     -6.291054      5.035581
  H      -6.674768     -7.007988      4.093792
  H      -7.716330     -5.732562      3.385137
  H      -8.872719     -4.085117      4.627514
  H      -9.678503     -1.818012      5.275726
  H      -6.454969      1.137331      7.479669
  H      -6.128622      1.248535      5.759391
  H      -4.903790     -3.022033      5.931426
  N      -2.435661      3.264407      3.534013
  H      -2.369781      4.293624      3.560863
  H      -3.043500      2.999256      2.755036
  H      -1.499812      2.911364      3.316610
90
Coordinates from ORCA-job orca E -6507.954889111435
  N      -1.890279      1.104115      5.351337
  Mo     -3.291755      2.469227      5.622784
  N      -4.529642      1.786575      7.002750
  C      -4.144468      1.927774      8.405665
  C      -2.631821      1.826407      8.500301
  N      -2.025990      2.716543      7.463013
  C      -0.664188      2.260233      7.061155
  C      -0.768588      0.970112      6.260742
  C      -2.011368      4.137699      7.923420
  C      -2.241502      5.045391      6.726888
  N      -3.341473      4.468218      5.967079
  H       0.181688      0.803793      5.720191
  H      -0.905258      0.093764      6.924954
  H      -0.232942      3.055513      6.435962
  H      -0.023105      2.137139      7.949935
  H      -2.491074      6.061470      7.080522
  H      -1.325108      5.151118      6.116646
  H      -2.845839      4.261708      8.624940
  H      -1.071285      4.349871      8.457075
  H      -4.592219      1.134882      9.025378
  H      -4.502327      2.894495      8.810001
  H      -2.336765      0.793678      8.279646
  H      -2.248107      2.101891      9.496797
  C      -3.863026     -5.758843      1.648043
  C      -3.203862     -4.489465      2.120532
  O      -2.003701     -4.440312      2.366882
  C      -4.059192     -3.269106      2.320407
  C      -5.397166     -3.186243      1.896524
  C      -6.125482     -2.014472      2.101217
  C      -5.529296     -0.943019      2.746492
  F      -6.273767      0.168723      2.925703
  C      -4.192311     -0.985460      3.221715
  C      -3.569239      0.080371      3.970155
  O      -4.209642      1.150827      4.287734
  C      -2.166832     -0.032801      4.498942
  C      -3.483336     -2.178771      2.966053
  C      -4.424021     11.753894      1.111349
  C      -3.708826     10.560010      1.695357
  O      -2.514544     10.369862      1.496393
  C      -4.496143      9.594312      2.536253
  C      -5.860543      9.771867      2.825559
  C      -6.541590      8.846813      3.610825
  C      -5.853225      7.746632      4.107144
  F      -6.558437      6.863078      4.853225
  C      -4.488948      7.522344      3.847697
  C      -3.683981      6.359475      4.328369
  O      -2.545153      6.187210      3.892037
  C      -4.261436      5.405451      5.379062
  C      -3.838831      8.474755      3.047505
  C      -7.158755     -6.126354      4.325896
  C      -6.211281     -5.072051      4.847091
  O      -5.005979     -5.287950      4.930240
  C      -6.777131     -3.747095      5.258863
  C      -8.134363     -3.421635      5.086983
  C      -8.610283     -2.166508      5.448671
  C      -7.723246     -1.236350      5.978729
  F      -8.230609     -0.029417      6.321345
  C      -6.360195     -1.513141      6.177921
  C      -5.336191     -0.548981      6.702935
  O      -4.224687     -0.952036      7.024554
  C      -5.673760      0.945864      6.751959
  C      -5.919204     -2.792380      5.809877
  H      -3.103435     -6.537841      1.526337
  H      -4.606546     -6.083970      2.392087
  H      -4.390364     -5.605487      0.694636
  H      -5.875927     -4.030356      1.400664
  H      -7.160185     -1.918912      1.771274
  H      -1.444212     -0.105263      3.659343
  H      -2.070511     -0.983373      5.058521
  H      -2.446496     -2.286815      3.285812
  H      -4.848780     12.382588      1.909325
  H      -5.262019     11.434384      0.472764
  H      -3.716472     12.343801      0.519845
  H      -6.400875     10.635331      2.437075
  H      -7.600541      8.961403      3.843033
  H      -4.724681      6.028295      6.170804
  H      -5.110061      4.874033      4.913339
  H      -2.780983      8.332608      2.822664
  H      -7.952107     -6.340242      5.057898
  H      -6.599053     -7.043033      4.113046
  H      -7.655059     -5.778650      3.406156
  H      -8.829508     -4.147619      4.665172
  H      -9.659038     -1.893984      5.329038
  H      -6.452227      1.093966      7.523582
  H      -6.153364      1.212761      5.798886
  H      -4.865707     -3.039780      5.946556
  N      -2.500234      3.256906      3.522085
  H      -2.390942      4.282289      3.539443
  H      -3.114621      3.006668      2.743396
  H      -1.577829      2.864418      3.315945
90
Coordinates from ORCA-job orca E -6507.955139524473
  N      -1.923713      1.126036      5.341325
  Mo     -3.337288      2.473408      5.642050
  N      -4.545833      1.770727      7.035411
  C      -4.145807      1.915762      8.434227
  C      -2.631508      1.829852      8.508511
  N      -2.051715      2.728984      7.463279
  C      -0.690603      2.287576      7.040785
  C      -0.794834      0.995832      6.243125
  C      -2.046874      4.148620      7.929177
  C      -2.304733      5.061638      6.742897
  N      -3.399213      4.471823      5.982383
  H       0.151935      0.831522      5.696186
  H      -0.925911      0.120678      6.909844
  H      -0.279808      3.087511      6.407663
  H      -0.035322      2.173099      7.920147
  H      -2.573547      6.068338      7.109614
  H      -1.395991      5.193524      6.127321
  H      -2.870882      4.258859      8.645200
  H      -1.100805      4.369508      8.448285
  H      -4.579997      1.119900      9.059504
  H      -4.506927      2.880102      8.841217
  H      -2.328327      0.801074      8.281002
  H      -2.236317      2.108130      9.499614
  C      -3.870671     -5.717160      1.570691
  C      -3.225486     -4.457663      2.087246
  O      -2.024842     -4.401340      2.328781
  C      -4.090657     -3.247620      2.308295
  C      -5.433727     -3.174257      1.900110
  C      -6.173481     -2.013783      2.127649
  C      -5.581870     -0.942653      2.777812
  F      -6.337633      0.156828      2.981236
  C      -4.237921     -0.974809      3.234539
  C      -3.615463      0.091197      3.982389
  O      -4.261129      1.156418      4.311396
  C      -2.205292     -0.013033      4.492699
  C      -3.519151     -2.157786      2.958945
  C      -4.314668     11.763528      1.106477
  C      -3.626996     10.551027      1.684932
  O      -2.435397     10.338776      1.493124
  C      -4.439325      9.594479      2.512776
  C      -5.804354      9.792006      2.785903
  C      -6.508399      8.875949      3.561203
  C      -5.842357      7.765556      4.065306
  F      -6.569840      6.892570      4.802472
  C      -4.478249      7.521937      3.823247
  C      -3.693247      6.350696      4.318216
  O      -2.549498      6.164762      3.901351
  C      -4.300942      5.403916      5.358680
  C      -3.805322      8.464867      3.030948
  C      -7.080362     -6.154031      4.317054
  C      -6.145657     -5.097743      4.857456
  O      -4.934575     -5.288704      4.908878
  C      -6.727311     -3.785370      5.287594
  C      -8.091409     -3.480032      5.133282
  C      -8.582781     -2.235549      5.510461
  C      -7.704000     -1.295410      6.037220
  F      -8.225470     -0.098862      6.394160
  C      -6.334693     -1.552310      6.218887
  C      -5.318882     -0.574235      6.734112
  O      -4.198253     -0.961521      7.043183
  C      -5.681262      0.913901      6.798518
  C      -5.878548     -2.821783      5.836107
  H      -3.103087     -6.483867      1.424170
  H      -4.610935     -6.074693      2.302968
  H      -4.399102     -5.537278      0.622548
  H      -5.909353     -4.018262      1.400941
  H      -7.213586     -1.927352      1.812674
  H      -1.493963     -0.082594      3.643409
  H      -2.096916     -0.961688      5.053063
  H      -2.477892     -2.258926      3.266144
  H      -4.734736     12.392022      1.906968
  H      -5.152361     11.465992      0.456992
  H      -3.590543     12.345626      0.527410
  H      -6.327282     10.664046      2.392804
  H      -7.568237      9.005750      3.780937
  H      -4.787025      6.032949      6.131746
  H      -5.136142      4.868757      4.873635
  H      -2.746480      8.308544      2.820149
  H      -7.867270     -6.396164      5.046900
  H      -6.507676     -7.057041      4.081363
  H      -7.584889     -5.792897      3.406877
  H      -8.779775     -4.212976      4.712494
  H      -9.636801     -1.978222      5.404525
  H      -6.449309      1.045479      7.583333
  H      -6.179802      1.179238      5.854742
  H      -4.819509     -3.053074      5.957408
  N      -2.571720      3.266566      3.531140
  H      -2.420237      4.285919      3.547602
  H      -3.204442      3.043727      2.758706
  H      -1.671196      2.829999      3.318391
90
Coordinates from ORCA-job orca E -6507.955379069057
  N      -1.956754      1.133692      5.334938
  Mo     -3.375136      2.474803      5.648872
  N      -4.565308      1.764354      7.051938
  C      -4.155621      1.915859      8.448321
  C      -2.640853      1.840586      8.509376
  N      -2.077196      2.741100      7.455810
  C      -0.716736      2.305739      7.021855
  C      -0.821583      1.010334      6.229919
  C      -2.077206      4.161287      7.920337
  C      -2.349501      5.073076      6.736927
  N      -3.440381      4.475108      5.975586
  H       0.121928      0.846576      5.677402
  H      -0.946994      0.138391      6.901866
  H      -0.318377      3.106544      6.381924
  H      -0.053889      2.198387      7.896336
  H      -2.629599      6.075623      7.106864
  H      -1.443852      5.215841      6.119607
  H      -2.894359      4.266228      8.644919
  H      -1.127000      4.388041      8.429154
  H      -4.579970      1.117842      9.077348
  H      -4.521074      2.878694      8.854737
  H      -2.333413      0.813619      8.280082
  H      -2.237328      2.124123      9.495509
  C      -3.889677     -5.691498      1.520451
  C      -3.251189     -4.436230      2.055202
  O      -2.052344     -4.378849      2.304286
  C      -4.123385     -3.234363      2.294338
  C      -5.470843     -3.168320      1.900387
  C      -6.219542     -2.018023      2.148938
  C      -5.631343     -0.947927      2.804147
  F      -6.396273      0.139978      3.031499
  C      -4.281403     -0.971865      3.243724
  C      -3.657562      0.093623      3.990430
  O      -4.304756      1.158117      4.323023
  C      -2.244049     -0.008319      4.492507
  C      -3.554988     -2.145945      2.949918
  C      -4.218086     11.805922      1.146239
  C      -3.553751     10.572660      1.707316
  O      -2.363091     10.347326      1.525637
  C      -4.389198      9.611222      2.506481
  C      -5.757001      9.817593      2.758096
  C      -6.483328      8.897963      3.508139
  C      -5.835885      7.775907      4.010916
  F      -6.585018      6.899472      4.722140
  C      -4.469712      7.524056      3.790980
  C      -3.700939      6.342944      4.291242
  O      -2.554574      6.148583      3.886435
  C      -4.328836      5.403599      5.327015
  C      -3.774767      8.469401      3.021375
  C      -6.993506     -6.189465      4.335227
  C      -6.072277     -5.117287      4.867273
  O      -4.859275     -5.293127      4.923375
  C      -6.672687     -3.816910      5.309151
  C      -8.042665     -3.533713      5.165261
  C      -8.552598     -2.299428      5.551444
  C      -7.685632     -1.347308      6.076501
  F      -8.223453     -0.161222      6.444060
  C      -6.311372     -1.582606      6.248464
  C      -5.309314     -0.589523      6.761927
  O      -4.179164     -0.958845      7.057860
  C      -5.693344      0.893194      6.828155
  C      -5.836423     -2.842323      5.856797
  H      -3.118417     -6.452855      1.365833
  H      -4.629512     -6.061937      2.246843
  H      -4.417244     -5.501647      0.573796
  H      -5.944102     -4.010798      1.396270
  H      -7.264094     -1.939051      1.847085
  H      -1.537440     -0.082343      3.639827
  H      -2.134976     -0.954152      5.057683
  H      -2.509992     -2.241547      3.245883
  H      -4.641288     12.421920      1.954676
  H      -5.050087     11.533667      0.478711
  H      -3.478491     12.391120      0.590269
  H      -6.265853     10.699000      2.367480
  H      -7.546050      9.033421      3.709598
  H      -4.828083      6.040127      6.085296
  H      -5.155414      4.864793      4.831590
  H      -2.713643      8.306339      2.827591
  H      -7.777118     -6.437864      5.066395
  H      -6.408411     -7.086005      4.105162
  H      -7.502229     -5.840576      3.422691
  H      -8.721640     -4.276101      4.745793
  H      -9.611380     -2.058962      5.454250
  H      -6.453723      1.016106      7.621481
  H      -6.204685      1.151400      5.889261
  H      -4.772814     -3.056079      5.969687
  N      -2.625792      3.260765      3.527000
  H      -2.423950      4.271340      3.546041
  H      -3.285669      3.077882      2.766625
  H      -1.757851      2.772565      3.293345
90
Coordinates from ORCA-job orca E -6507.955552241501
  N      -1.992011      1.135570      5.334644
  Mo     -3.410397      2.476726      5.656751
  N      -4.586771      1.763151      7.067992
  C      -4.167930      1.918583      8.462464
  C      -2.652876      1.850823      8.511619
  N      -2.101491      2.750755      7.450919
  C      -0.742192      2.318138      7.007566
  C      -0.848506      1.020229      6.219463
  C      -2.103149      4.171383      7.913603
  C      -2.381082      5.080596      6.730307
  N      -3.470476      4.479647      5.968369
  H       0.090710      0.859549      5.658848
  H      -0.963976      0.150341      6.895923
  H      -0.351886      3.119386      6.363385
  H      -0.073994      2.214102      7.878297
  H      -2.666204      6.082147      7.099167
  H      -1.475738      5.224894      6.112564
  H      -2.916138      4.274788      8.642993
  H      -1.150118      4.401097      8.415725
  H      -4.582795      1.116699      9.092703
  H      -4.538155      2.878716      8.870319
  H      -2.344078      0.824686      8.281107
  H      -2.241267      2.138765      9.493044
  C      -3.920979     -5.663235      1.469412
  C      -3.286320     -4.411434      2.016975
  O      -2.087823     -4.353022      2.266579
  C      -4.164702     -3.218890      2.279572
  C      -5.517619     -3.159557      1.903749
  C      -6.273360     -2.019883      2.177481
  C      -5.686086     -0.951976      2.837219
  F      -6.458491      0.124252      3.092220
  C      -4.329371     -0.968049      3.255472
  C      -3.701883      0.096295      4.000885
  O      -4.347942      1.161197      4.335994
  C      -2.286592     -0.007954      4.498332
  C      -3.597168     -2.133089      2.939981
  C      -4.132616     11.844838      1.184701
  C      -3.482313     10.603613      1.744214
  O      -2.286891     10.381782      1.592388
  C      -4.338828      9.628934      2.504277
  C      -5.715207      9.826206      2.712109
  C      -6.462781      8.894270      3.425249
  C      -5.827151      7.769327      3.936734
  F      -6.595994      6.878931      4.608886
  C      -4.453187      7.527354      3.761044
  C      -3.695797      6.344198      4.275718
  O      -2.546360      6.143312      3.883167
  C      -4.345181      5.408924      5.301799
  C      -3.736612      8.483616      3.025978
  C      -6.894581     -6.215143      4.340975
  C      -5.990881     -5.130606      4.877408
  O      -4.774742     -5.284293      4.927416
  C      -6.612683     -3.844583      5.332213
  C      -7.988736     -3.586531      5.200712
  C      -8.519455     -2.364451      5.598040
  C      -7.666127     -1.399339      6.121416
  F      -8.221803     -0.224897      6.500443
  C      -6.286533     -1.609840      6.280855
  C      -5.300256     -0.599861      6.790717
  O      -4.163728     -0.950698      7.084906
  C      -5.706720      0.877331      6.855972
  C      -5.790212     -2.857832      5.878870
  H      -3.146664     -6.419245      1.304345
  H      -4.657256     -6.046161      2.192866
  H      -4.451940     -5.465137      0.526503
  H      -5.989904     -3.998520      1.392975
  H      -7.322806     -1.947480      1.891525
  H      -1.582016     -0.089526      3.644780
  H      -2.182624     -0.951746      5.068377
  H      -2.547610     -2.222999      3.221037
  H      -4.581415     12.445675      1.990673
  H      -4.943384     11.582485      0.487939
  H      -3.378394     12.441207      0.661218
  H      -6.215787     10.709292      2.314865
  H      -7.532753      9.021042      3.590313
  H      -4.854240      6.051108      6.048479
  H      -5.164381      4.869791      4.794783
  H      -2.669273      8.326402      2.864847
  H      -7.673358     -6.481037      5.071009
  H      -6.294355     -7.100231      4.105642
  H      -7.409428     -5.869777      3.430622
  H      -8.656901     -4.339484      4.782786
  H      -9.583257     -2.143305      5.511178
  H      -6.460850      0.992928      7.656003
  H      -6.228253      1.126042      5.920305
  H      -4.721831     -3.051351      5.981438
  N      -2.679806      3.253337      3.523161
  H      -2.428788      4.252903      3.550410
  H      -3.371964      3.119133      2.781415
  H      -1.849934      2.719510      3.254793
90
Coordinates from ORCA-job orca E -6507.955674829175
  N      -2.025027      1.140042      5.326468
  Mo     -3.446758      2.478057      5.652834
  N      -4.611206      1.760425      7.071448
  C      -4.184709      1.919151      8.463946
  C      -2.669187      1.860892      8.503290
  N      -2.130714      2.762046      7.437591
  C      -0.771093      2.337138      6.986802
  C      -0.873038      1.037267      6.200827
  C      -2.139279      4.182640      7.899361
  C      -2.419761      5.088430      6.714885
  N      -3.505274      4.483148      5.950652
  H       0.062756      0.885334      5.632015
  H      -0.972996      0.167598      6.880146
  H      -0.388858      3.140372      6.340422
  H      -0.098555      2.237036      7.854601
  H      -2.710649      6.089368      7.080965
  H      -1.513448      5.234072      6.098711
  H      -2.951829      4.282362      8.629694
  H      -1.186582      4.417650      8.399671
  H      -4.589014      1.112325      9.094650
  H      -4.561593      2.875314      8.874255
  H      -2.356636      0.836086      8.272312
  H      -2.251971      2.153658      9.480904
  C      -3.924104     -5.642842      1.419303
  C      -3.297371     -4.390451      1.975078
  O      -2.096121     -4.320461      2.207279
  C      -4.185370     -3.209813      2.257171
  C      -5.543803     -3.163374      1.899462
  C      -6.309479     -2.036257      2.195678
  C      -5.726433     -0.967190      2.857151
  F      -6.509343      0.095332      3.137215
  C      -4.363520     -0.969099      3.254500
  C      -3.737326      0.097174      3.998854
  O      -4.386132      1.159399      4.336691
  C      -2.320922     -0.004977      4.494683
  C      -3.622020     -2.122831      2.919068
  C      -4.038693     11.892438      1.238831
  C      -3.405898     10.640273      1.793806
  O      -2.207929     10.416450      1.666913
  C      -4.283865      9.656397      2.516373
  C      -5.665158      9.852914      2.688527
  C      -6.434762      8.910909      3.364163
  C      -5.815556      7.776299      3.874307
  F      -6.603198      6.875278      4.509911
  C      -4.438003      7.534700      3.732733
  C      -3.700017      6.338653      4.245882
  O      -2.545763      6.133062      3.870024
  C      -4.367833      5.411938      5.266998
  C      -3.698069      8.501269      3.035528
  C      -6.824564     -6.255030      4.386079
  C      -5.932880     -5.152316      4.904673
  O      -4.713962     -5.285608      4.943023
  C      -6.571514     -3.877528      5.367575
  C      -7.953336     -3.643693      5.255198
  C      -8.500393     -2.430792      5.658839
  C      -7.656936     -1.451083      6.170369
  F      -8.226856     -0.285709      6.556991
  C      -6.272090     -1.638113      6.311607
  C      -5.298051     -0.611885      6.810643
  O      -4.155860     -0.945847      7.103102
  C      -5.722945      0.860811      6.870748
  C      -5.758533     -2.876727      5.902970
  H      -3.142950     -6.388036      1.238042
  H      -4.649520     -6.043953      2.143500
  H      -4.466361     -5.439958      0.483961
  H      -6.012496     -4.001878      1.384832
  H      -7.363908     -1.974792      1.926072
  H      -1.615749     -0.090799      3.642046
  H      -2.219606     -0.947483      5.067918
  H      -2.567822     -2.202140      3.185345
  H      -4.506989     12.480612      2.042974
  H      -4.831733     11.643552      0.517325
  H      -3.270413     12.495784      0.744679
  H      -6.153416     10.743187      2.292236
  H      -7.508901      9.036448      3.500120
  H      -4.884512      6.061014      6.002523
  H      -5.180657      4.871894      4.751205
  H      -2.627484      8.343025      2.900043
  H      -7.590603     -6.529444      5.126318
  H      -6.212550     -7.131550      4.149162
  H      -7.355327     -5.923701      3.479740
  H      -8.613658     -4.408678      4.846826
  H      -9.568897     -2.228173      5.586535
  H      -6.471379      0.971373      7.676641
  H      -6.253838      1.098831      5.937827
  H      -4.685839     -3.051408      5.991367
  N      -2.736458      3.250673      3.509795
  H      -2.439067      4.236730      3.549181
  H      -3.458868      3.169398      2.789494
  H      -1.944373      2.682232      3.202039
90
Coordinates from ORCA-job orca E -6507.955758887805
  N      -2.058961      1.143579      5.325129
  Mo     -3.480525      2.481234      5.657885
  N      -4.634086      1.760064      7.085266
  C      -4.197661      1.918669      8.475275
  C      -2.681675      1.864324      8.503682
  N      -2.154076      2.767252      7.434567
  C      -0.796317      2.347733      6.974331
  C      -0.899197      1.047212      6.189163
  C      -2.165442      4.186815      7.898809
  C      -2.446884      5.093706      6.716334
  N      -3.531040      4.487595      5.950222
  H       0.032553      0.900553      5.612223
  H      -0.987102      0.177005      6.869498
  H      -0.420105      3.152293      6.326115
  H      -0.117869      2.248862      7.837661
  H      -2.740928      6.093191      7.084121
  H      -1.540962      5.242634      6.100727
  H      -2.978044      4.283199      8.629491
  H      -1.213237      4.423475      8.399353
  H      -4.593612      1.108511      9.106997
  H      -4.576189      2.871944      8.890167
  H      -2.368718      0.840008      8.271153
  H      -2.257915      2.158764      9.478041
  C      -3.944265     -5.619973      1.377239
  C      -3.322972     -4.367569      1.939946
  O      -2.120401     -4.291371      2.163543
  C      -4.218283     -3.198443      2.244266
  C      -5.581767     -3.162139      1.904198
  C      -6.353776     -2.044862      2.220994
  C      -5.771909     -0.975860      2.883396
  F      -6.561200      0.076659      3.183824
  C      -4.403922     -0.967309      3.262389
  C      -3.777206      0.099485      4.005863
  O      -4.426318      1.159755      4.349056
  C      -2.358675     -0.002008      4.496536
  C      -3.656673     -2.111844      2.908346
  C      -3.972471     11.905535      1.240246
  C      -3.349559     10.654002      1.807906
  O      -2.149797     10.429173      1.700231
  C      -4.239816      9.671359      2.516889
  C      -5.623496      9.869279      2.666377
  C      -6.406042      8.926766      3.326468
  C      -5.796829      7.789890      3.843376
  F      -6.594715      6.887094      4.463487
  C      -4.417712      7.546503      3.723436
  C      -3.693813      6.343793      4.240444
  O      -2.541011      6.124688      3.867562
  C      -4.379284      5.420371      5.252333
  C      -3.663881      8.513801      3.042204
  C      -6.737768     -6.275443      4.392237
  C      -5.862639     -5.163535      4.919230
  O      -4.641553     -5.277045      4.953058
  C      -6.520159     -3.899297      5.384700
  C      -7.905173     -3.685072      5.274000
  C      -8.469915     -2.481671      5.682268
  C      -7.640489     -1.491767      6.196812
  F      -8.226033     -0.335440      6.587378
  C      -6.253186     -1.659589      6.336897
  C      -5.294855     -0.621613      6.840099
  O      -4.149080     -0.940840      7.135825
  C      -5.736514      0.846663      6.893868
  C      -5.721153     -2.888648      5.923211
  H      -3.158399     -6.357383      1.184498
  H      -4.663667     -6.035124      2.099421
  H      -4.493130     -5.412538      0.446659
  H      -6.049025     -3.999912      1.387157
  H      -7.412447     -1.991248      1.966603
  H      -1.655298     -0.091201      3.642715
  H      -2.257694     -0.944131      5.070856
  H      -2.598271     -2.182502      3.160032
  H      -4.454819     12.495122      2.035046
  H      -4.753044     11.654707      0.505830
  H      -3.196212     12.508111      0.757779
  H      -6.103765     10.761465      2.264568
  H      -7.482176      9.053548      3.444577
  H      -4.902635      6.072015      5.980889
  H      -5.187039      4.883316      4.725792
  H      -2.591678      8.353521      2.923184
  H      -7.501069     -6.565396      5.129410
  H      -6.113407     -7.141858      4.150356
  H      -7.272207     -5.945616      3.487326
  H      -8.554271     -4.458331      4.863052
  H      -9.541320     -2.294438      5.611071
  H      -6.481055      0.951845      7.704109
  H      -6.275288      1.073921      5.962849
  H      -4.646138     -3.048264      6.011069
  N      -2.790620      3.247614      3.506243
  H      -2.439437      4.214924      3.555655
  H      -3.538145      3.223742      2.807688
  H      -2.038848      2.646834      3.161356
90
Coordinates from ORCA-job orca E -6507.955799447067
  N      -2.076214      1.152021      5.319566
  Mo     -3.499623      2.484187      5.659743
  N      -4.644003      1.756486      7.092508
  C      -4.200821      1.912533      8.480684
  C      -2.684351      1.863690      8.501120
  N      -2.166662      2.771577      7.431409
  C      -0.809675      2.360412      6.963156
  C      -0.910347      1.060701      6.175885
  C      -2.183356      4.189948      7.899338
  C      -2.467680      5.098529      6.719330
  N      -3.549648      4.490636      5.951065
  H       0.018687      0.920753      5.592784
  H      -0.987891      0.188229      6.854494
  H      -0.439501      3.167879      6.315032
  H      -0.125600      2.262887      7.822289
  H      -2.764586      6.096256      7.089922
  H      -1.562856      5.253108      6.103676
  H      -2.997072      4.281095      8.629428
  H      -1.232873      4.429467      8.401957
  H      -4.590404      1.100202      9.113548
  H      -4.579817      2.863492      8.900436
  H      -2.368386      0.840930      8.265749
  H      -2.257143      2.157800      9.474168
  C      -3.950822     -5.608108      1.354984
  C      -3.333444     -4.356168      1.923589
  O      -2.129123     -4.273667      2.136104
  C      -4.233293     -3.194417      2.241095
  C      -5.599781     -3.165442      1.912079
  C      -6.375089     -2.052716      2.237725
  C      -5.793371     -0.982229      2.897532
  F      -6.585870      0.066137      3.205324
  C      -4.422687     -0.966854      3.266682
  C      -3.797154      0.102069      4.008175
  O      -4.448448      1.158938      4.356900
  C      -2.375441      0.005842      4.491347
  C      -3.672346     -2.106549      2.903955
  C      -3.927365     11.913674      1.244200
  C      -3.312842     10.663300      1.823947
  O      -2.110988     10.440157      1.736845
  C      -4.213496      9.680869      2.519776
  C      -5.598675      9.880500      2.651946
  C      -6.390761      8.937883      3.300470
  C      -5.789745      7.799341      3.822966
  F      -6.596711      6.896003      4.430120
  C      -4.409273      7.553607      3.719734
  C      -3.694631      6.347683      4.240475
  O      -2.538873      6.125252      3.878747
  C      -4.391089      5.424219      5.245316
  C      -3.645731      8.521116      3.049391
  C      -6.702255     -6.294191      4.405785
  C      -5.832684     -5.175451      4.927969
  O      -4.610745     -5.281071      4.958431
  C      -6.497606     -3.915622      5.394731
  C      -7.884232     -3.709889      5.287212
  C      -8.455232     -2.509860      5.696786
  C      -7.630952     -1.514633      6.209412
  F      -8.222807     -0.362098      6.601038
  C      -6.242353     -1.673971      6.346655
  C      -5.289021     -0.630289      6.846808
  O      -4.143183     -0.943822      7.148843
  C      -5.739900      0.835182      6.902577
  C      -5.703906     -2.900063      5.932169
  H      -3.161921     -6.340115      1.153940
  H      -4.666996     -6.033144      2.074758
  H      -4.503272     -5.396147      0.427276
  H      -6.066381     -4.004972      1.397211
  H      -7.436165     -2.003989      1.992251
  H      -1.675528     -0.080758      3.634371
  H      -2.267546     -0.936736      5.063773
  H      -2.611357     -2.171339      3.146401
  H      -4.423534     12.504357      2.029716
  H      -4.695542     11.660263      0.497480
  H      -3.143916     12.516071      0.773250
  H      -6.071904     10.774582      2.245786
  H      -7.468132      9.066603      3.405234
  H      -4.921621      6.073845      5.970172
  H      -5.193958      4.888441      4.709737
  H      -2.572127      8.360034      2.944076
  H      -7.460158     -6.588895      5.146796
  H      -6.073332     -7.156580      4.161235
  H      -7.243680     -5.968577      3.503335
  H      -8.529269     -4.487071      4.877074
  H      -9.528025     -2.329489      5.627547
  H      -6.483785      0.934006      7.714540
  H      -6.282789      1.059198      5.973231
  H      -4.627717     -3.053464      6.018092
  N      -2.827565      3.250316      3.501830
  H      -2.457925      4.210262      3.554159
  H      -3.586811      3.248498      2.815701
  H      -2.090698      2.642162      3.138042
90
Coordinates from ORCA-job orca E -6507.955824639113
  N      -2.081407      1.156476      5.316848
  Mo     -3.506138      2.484043      5.657818
  N      -4.647161      1.753866      7.094155
  C      -4.200597      1.906546      8.481162
  C      -2.683881      1.860569      8.498085
  N      -2.171852      2.772688      7.429499
  C      -0.814570      2.369159      6.957753
  C      -0.910833      1.070643      6.167442
  C      -2.194776      4.190048      7.900049
  C      -2.476795      5.099346      6.720370
  N      -3.555577      4.490577      5.948028
  H       0.016354      0.938350      5.579517
  H      -0.978822      0.195265      6.843160
  H      -0.447571      3.179446      6.311337
  H      -0.127513      2.272568      7.814753
  H      -2.774739      6.096721      7.091260
  H      -1.571219      5.256632      6.106703
  H      -3.013150      4.276974      8.625448
  H      -1.248371      4.431855      8.409326
  H      -4.587640      1.093673      9.114833
  H      -4.578452      2.856456      8.904542
  H      -2.365130      0.839094      8.260898
  H      -2.256117      2.153709      9.471269
  C      -3.942531     -5.606859      1.343198
  C      -3.326896     -4.354525      1.913183
  O      -2.122078     -4.269904      2.122806
  C      -4.228741     -3.196077      2.235704
  C      -5.595426     -3.169789      1.907309
  C      -6.372359     -2.058247      2.233927
  C      -5.791924     -0.987788      2.894466
  F      -6.586047      0.059965      3.201394
  C      -4.421356     -0.970261      3.264637
  C      -3.799397      0.099887      4.007119
  O      -4.453914      1.153422      4.359494
  C      -2.375885      0.009922      4.486621
  C      -3.669160     -2.108047      2.899859
  C      -3.911173     11.915140      1.242272
  C      -3.299314     10.667401      1.830788
  O      -2.097008     10.444076      1.749826
  C      -4.203499      9.686481      2.523954
  C      -5.587740      9.891436      2.657782
  C      -6.382692      8.950980      3.305953
  C      -5.785721      7.809174      3.825495
  F      -6.595605      6.908236      4.432107
  C      -4.406101      7.557432      3.720015
  C      -3.696789      6.347802      4.237381
  O      -2.542219      6.120073      3.875234
  C      -4.396141      5.424764      5.241564
  C      -3.639701      8.523291      3.050355
  C      -6.699701     -6.303436      4.423574
  C      -5.831848     -5.180492      4.939952
  O      -4.609323     -5.281085      4.964000
  C      -6.499387     -3.921609      5.405129
  C      -7.886577     -3.718445      5.298751
  C      -8.458687     -2.518384      5.706604
  C      -7.635774     -1.520416      6.216405
  F      -8.229731     -0.368586      6.606117
  C      -6.246710     -1.677367      6.352956
  C      -5.293185     -0.633256      6.851656
  O      -4.146085     -0.946200      7.149724
  C      -5.742555      0.832542      6.904118
  C      -5.707366     -2.903628      5.940140
  H      -3.153106     -6.339265      1.145645
  H      -4.664244     -6.032034      2.057374
  H      -4.489192     -5.393762      0.412053
  H      -6.060493     -4.010566      1.393068
  H      -7.433627     -2.010641      1.988966
  H      -1.676898     -0.071008      3.628322
  H      -2.260183     -0.933651      5.055894
  H      -2.607681     -2.170560      3.140951
  H      -4.410500     12.510318      2.022384
  H      -4.676470     11.657442      0.493905
  H      -3.125660     12.514706      0.771157
  H      -6.056850     10.788633      2.253574
  H      -7.459289      9.084879      3.412644
  H      -4.928624      6.071807      5.966908
  H      -5.198263      4.890347      4.703153
  H      -2.566570      8.358981      2.944461
  H      -7.450362     -6.601863      5.170582
  H      -6.068903     -7.162870      4.173539
  H      -7.250410     -5.980154      3.525832
  H      -8.530574     -4.497423      4.890303
  H      -9.531951     -2.340341      5.637764
  H      -6.487135      0.931540      7.715766
  H      -6.286051      1.055956      5.975108
  H      -4.630866     -3.055790      6.026015
  N      -2.846651      3.249119      3.495658
  H      -2.469792      4.206182      3.551198
  H      -3.614153      3.259784      2.818828
  H      -2.116604      2.642749      3.115264
90
Coordinates from ORCA-job orca E -6507.955838592019
  N      -2.087129      1.159486      5.313948
  Mo     -3.512261      2.484369      5.657109
  N      -4.649384      1.753220      7.096661
  C      -4.200091      1.904584      8.482691
  C      -2.683275      1.860681      8.496193
  N      -2.175282      2.774289      7.426881
  C      -0.818254      2.373730      6.952082
  C      -0.913848      1.075475      6.161313
  C      -2.200376      4.191375      7.897882
  C      -2.483050      5.100964      6.718755
  N      -3.560471      4.491070      5.945057
  H       0.011728      0.945106      5.570535
  H      -0.978839      0.199484      6.836442
  H      -0.454142      3.185039      6.305310
  H      -0.128880      2.278296      7.807368
  H      -2.782615      6.097597      7.090354
  H      -1.577711      5.260618      6.105380
  H      -3.019920      4.276675      8.622163
  H      -1.255065      4.434077      8.408683
  H      -4.585481      1.091365      9.116861
  H      -4.577250      2.854027      8.907946
  H      -2.363109      0.840017      8.257536
  H      -2.253960      2.153751      9.468708
  C      -3.948757     -5.610886      1.350119
  C      -3.333476     -4.360521      1.924742
  O      -2.128783     -4.276352      2.135085
  C      -4.234777     -3.200924      2.244742
  C      -5.601265     -3.175140      1.915915
  C      -6.378529     -2.063108      2.240404
  C      -5.798117     -0.991449      2.898987
  F      -6.592621      0.056443      3.204271
  C      -4.427349     -0.973233      3.269132
  C      -3.805620      0.098278      4.009086
  O      -4.461206      1.151171      4.362680
  C      -2.380567      0.011888      4.484314
  C      -3.675080     -2.111700      2.906785
  C      -3.900059     11.920209      1.247223
  C      -3.290944     10.669686      1.832614
  O      -2.088972     10.444507      1.752578
  C      -4.197186      9.689965      2.524971
  C      -5.580184      9.900261      2.663704
  C      -6.376710      8.961635      3.312610
  C      -5.782723      7.816311      3.827739
  F      -6.594439      6.917653      4.435285
  C      -4.404453      7.559273      3.717570
  C      -3.698066      6.347320      4.233069
  O      -2.544464      6.116341      3.870135
  C      -4.399790      5.425068      5.236839
  C      -3.636525      8.523615      3.047550
  C      -6.684771     -6.306619      4.421632
  C      -5.819471     -5.182633      4.940044
  O      -4.597232     -5.283654      4.971790
  C      -6.489524     -3.923939      5.402283
  C      -7.876319     -3.720958      5.289020
  C      -8.450300     -2.520865      5.693991
  C      -7.630045     -1.522724      6.207959
  F      -8.225643     -0.370375      6.593388
  C      -6.241787     -1.679511      6.351558
  C      -5.290622     -0.634563      6.853176
  O      -4.143788     -0.946126      7.153603
  C      -5.743128      0.830002      6.906835
  C      -5.700570     -2.905796      5.941160
  H      -3.160409     -6.346045      1.158792
  H      -4.678423     -6.033218      2.057716
  H      -4.486276     -5.395231      0.414177
  H      -6.066145     -4.017309      1.403799
  H      -7.439787     -2.016014      1.995425
  H      -1.683798     -0.066754      3.624066
  H      -2.259787     -0.930954      5.053579
  H      -2.613798     -2.174277      3.148780
  H      -4.396689     12.515521      2.028920
  H      -4.666908     11.665946      0.499309
  H      -3.113225     12.518298      0.776435
  H      -6.046695     10.800147      2.262537
  H      -7.452345      9.099886      3.423144
  H      -4.933787      6.071846      5.961206
  H      -5.201197      4.890866      4.697121
  H      -2.564292      8.355612      2.938232
  H      -7.437184     -6.605122      5.166864
  H      -6.052473     -7.165630      4.173990
  H      -7.233385     -5.984510      3.522239
  H      -8.518299     -4.499971      4.877509
  H      -9.523189     -2.342891      5.619528
  H      -6.488045      0.926880      7.718534
  H      -6.287438      1.053026      5.978200
  H      -4.624440     -3.057709      6.031932
  N      -2.861592      3.246617      3.491268
  H      -2.481268      4.202683      3.545215
  H      -3.633265      3.260968      2.819151
  H      -2.136734      2.638333      3.104027
90
Coordinates from ORCA-job orca E -6507.955849759252
  N      -2.090569      1.163807      5.310276
  Mo     -3.517508      2.484482      5.656558
  N      -4.650253      1.751341      7.098767
  C      -4.198664      1.900669      8.484015
  C      -2.681773      1.859858      8.494205
  N      -2.178339      2.775705      7.424621
  C      -0.821030      2.379074      6.946800
  C      -0.915019      1.081527      6.155034
  C      -2.206506      4.192176      7.896758
  C      -2.490613      5.102705      6.718917
  N      -3.565511      4.491188      5.942839
  H       0.009135      0.953473      5.561722
  H      -0.977598      0.204811      6.829400
  H      -0.460780      3.192076      6.299995
  H      -0.129761      2.284949      7.800669
  H      -2.793945      6.097637      7.092021
  H      -1.585294      5.266335      6.106483
  H      -3.026866      4.274947      8.620408
  H      -1.262039      4.435953      8.408516
  H      -4.582121      1.085944      9.117348
  H      -4.576240      2.848887      8.911813
  H      -2.359525      0.840457      8.253105
  H      -2.250851      2.152713      9.466046
  C      -3.948427     -5.610921      1.349647
  C      -3.333953     -4.362560      1.929400
  O      -2.130471     -4.280807      2.147007
  C      -4.235247     -3.202184      2.247187
  C      -5.601166     -3.176539      1.916487
  C      -6.379527     -2.065058      2.240127
  C      -5.800404     -0.993186      2.899584
  F      -6.595808      0.053974      3.204568
  C      -4.429683     -0.974353      3.270521
  C      -3.808575      0.097945      4.009020
  O      -4.466093      1.149728      4.364290
  C      -2.382179      0.015583      4.480488
  C      -3.676519     -2.112736      2.909555
  C      -3.888077     11.925655      1.254530
  C      -3.281093     10.674288      1.840120
  O      -2.079250     10.447996      1.762703
  C      -4.190230      9.693264      2.527094
  C      -5.573253      9.905116      2.663674
  C      -6.372300      8.965858      3.308517
  C      -5.780958      7.818366      3.821925
  F      -6.595813      6.918655      4.423820
  C      -4.402810      7.560053      3.714352
  C      -3.698129      6.347385      4.230858
  O      -2.543929      6.115840      3.870386
  C      -4.403181      5.424684      5.232126
  C      -3.632423      8.525030      3.048238
  C      -6.680508     -6.311528      4.426261
  C      -5.815706     -5.185600      4.941095
  O      -4.593301     -5.284485      4.970210
  C      -6.486605     -3.927718      5.404613
  C      -7.874048     -3.726969      5.294418
  C      -8.448762     -2.527477      5.699941
  C      -7.628809     -1.527749      6.211467
  F      -8.225382     -0.376200      6.597856
  C      -6.240053     -1.682457      6.352299
  C      -5.288686     -0.635940      6.850853
  O      -4.140433     -0.946087      7.147062
  C      -5.743631      0.827520      6.909072
  C      -5.698199     -2.908188      5.941098
  H      -3.161652     -6.350480      1.169398
  H      -4.689839     -6.027837      2.047962
  H      -4.472033     -5.393314      0.406297
  H      -6.064953     -4.018820      1.403569
  H      -7.440442     -2.018395      1.993767
  H      -1.687307     -0.059476      3.618447
  H      -2.256081     -0.926504      5.049624
  H      -2.615694     -2.175593      3.153371
  H      -4.384805     12.521210      2.035928
  H      -4.654199     11.672860      0.505482
  H      -3.099683     12.523026      0.785426
  H      -6.037779     10.806343      2.263348
  H      -7.448019      9.104992      3.416728
  H      -4.940379      6.070744      5.954614
  H      -5.202232      4.889893      4.689514
  H      -2.560204      8.355933      2.940536
  H      -7.428621     -6.611802      5.175092
  H      -6.046988     -7.168862      4.176004
  H      -7.234066     -5.991034      3.529437
  H      -8.515984     -4.507208      4.885243
  H      -9.522057     -2.351109      5.627927
  H      -6.487336      0.921560      7.722204
  H      -6.289865      1.052464      5.982084
  H      -4.621610     -3.058216      6.029097
  N      -2.875840      3.246178      3.487820
  H      -2.490395      4.200427      3.540139
  H      -3.651700      3.265436      2.820486
  H      -2.158347      2.633514      3.093818
90
Coordinates from ORCA-job orca E -6507.955856295396
  N      -2.090125      1.166187      5.307178
  Mo     -3.517971      2.484559      5.653484
  N      -4.649622      1.751097      7.096603
  C      -4.197529      1.897308      8.481829
  C      -2.680597      1.858275      8.491032
  N      -2.178810      2.775660      7.422128
  C      -0.820786      2.381478      6.943722
  C      -0.913249      1.084986      6.150402
  C      -2.208991      4.191555      7.895322
  C      -2.491488      5.102964      6.717948
  N      -3.563907      4.491240      5.938834
  H       0.009963      0.959022      5.555336
  H      -0.974219      0.207411      6.823757
  H      -0.462085      3.195943      6.297941
  H      -0.129574      2.287363      7.797592
  H      -2.797438      6.096920      7.091457
  H      -1.585053      5.268131      6.107534
  H      -3.031016      4.273019      8.617218
  H      -1.265667      4.435343      8.409192
  H      -4.580014      1.080218      9.112690
  H      -4.576168      2.843745      8.912666
  H      -2.357115      0.839708      8.248062
  H      -2.249169      2.150572      9.462797
  C      -3.946650     -5.614987      1.355983
  C      -3.331890     -4.367423      1.937149
  O      -2.129230     -4.287645      2.159644
  C      -4.232460     -3.205073      2.250242
  C      -5.597795     -3.179093      1.917228
  C      -6.376340     -2.067073      2.238237
  C      -5.797975     -0.994513      2.897359
  F      -6.593381      0.053162      3.200295
  C      -4.427538     -0.975483      3.269538
  C      -3.806569      0.097687      4.006335
  O      -4.465290      1.149262      4.361782
  C      -2.379824      0.017723      4.476801
  C      -3.674180     -2.114815      2.911488
  C      -3.886779     11.932477      1.263785
  C      -3.279846     10.679408      1.845619
  O      -2.077528     10.454929      1.771164
  C      -4.189090      9.696879      2.530477
  C      -5.572199      9.908440      2.667134
  C      -6.371548      8.967663      3.309357
  C      -5.780420      7.818893      3.820246
  F      -6.595861      6.917064      4.418370
  C      -4.402306      7.561191      3.712983
  C      -3.697569      6.347784      4.228084
  O      -2.544349      6.115184      3.865325
  C      -4.402346      5.425132      5.229507
  C      -3.631558      8.527607      3.049472
  C      -6.685058     -6.316456      4.435702
  C      -5.819342     -5.189541      4.946555
  O      -4.597044     -5.289268      4.976294
  C      -6.489142     -3.929548      5.406196
  C      -7.876473     -3.728091      5.295550
  C      -8.450273     -2.527121      5.697919
  C      -7.629556     -1.526795      6.207003
  F      -8.225402     -0.373813      6.590632
  C      -6.240936     -1.682129      6.348118
  C      -5.288684     -0.635425      6.844895
  O      -4.139499     -0.945498      7.137417
  C      -5.743611      0.827913      6.905775
  C      -5.699954     -2.909185      5.939697
  H      -3.162310     -6.360355      1.189735
  H      -4.700821     -6.023465      2.045330
  H      -4.455145     -5.397784      0.404266
  H      -6.060900     -4.021510      1.403916
  H      -7.436786     -2.020325      1.989950
  H      -1.685196     -0.054463      3.614331
  H      -2.250836     -0.923810      5.046019
  H      -2.613915     -2.178230      3.157477
  H      -4.382202     12.526307      2.047338
  H      -4.653763     11.682280      0.514876
  H      -3.098390     12.530755      0.795808
  H      -6.036731     10.810412      2.268570
  H      -7.447377      9.106184      3.417053
  H      -4.939220      6.070927      5.952353
  H      -5.201397      4.890302      4.686896
  H      -2.559350      8.358636      2.941610
  H      -7.431119     -6.615122      5.187232
  H      -6.051758     -7.174156      4.186186
  H      -7.241019     -5.998415      3.539580
  H      -8.519203     -4.509012      4.888991
  H      -9.523404     -2.350006      5.625615
  H      -6.487051      0.920927      7.719188
  H      -6.289958      1.054772      5.979336
  H      -4.623478     -3.059608      6.028024
  N      -2.881893      3.246559      3.483483
  H      -2.490819      4.198320      3.536016
  H      -3.661619      3.272292      2.820766
  H      -2.171615      2.630301      3.082117
90
Coordinates from ORCA-job orca E -6507.955859673675
  N      -2.092049      1.169196      5.304498
  Mo     -3.521032      2.485078      5.652574
  N      -4.650197      1.750461      7.096999
  C      -4.196850      1.894533      8.481998
  C      -2.679882      1.857499      8.489304
  N      -2.180545      2.776227      7.420549
  C      -0.822222      2.384413      6.940657
  C      -0.913927      1.088722      6.146147
  C      -2.212140      4.191558      7.895044
  C      -2.494594      5.103900      6.718474
  N      -3.565141      4.491681      5.937386
  H       0.008422      0.964291      5.549505
  H      -0.973262      0.210520      6.818796
  H      -0.465323      3.200105      6.295465
  H      -0.130479      2.290302      7.794055
  H      -2.803113      6.096686      7.092954
  H      -1.587752      5.271110      6.109262
  H      -3.034564      4.271673      8.616625
  H      -1.269164      4.435606      8.409488
  H      -4.577297      1.075076      9.111038
  H      -4.576840      2.839092      8.915666
  H      -2.355488      0.839536      8.244970
  H      -2.247364      2.149684      9.460608
  C      -3.947972     -5.615911      1.358651
  C      -3.333539     -4.369031      1.941758
  O      -2.131232     -4.289866      2.166261
  C      -4.234198     -3.206263      2.253174
  C      -5.599576     -3.180821      1.920019
  C      -6.378298     -2.068751      2.240189
  C      -5.800264     -0.995444      2.898426
  F      -6.595762      0.052413      3.200606
  C      -4.429766     -0.975566      3.270216
  C      -3.808643      0.098413      4.005580
  O      -4.468075      1.149618      4.361789
  C      -2.381203      0.020428      4.474122
  C      -3.676164     -2.115185      2.913207
  C      -3.880872     11.935502      1.267508
  C      -3.274396     10.683698      1.852514
  O      -2.072362     10.457897      1.777431
  C      -4.184971      9.700002      2.533899
  C      -5.568571      9.910708      2.667098
  C      -6.369261      8.968663      3.305761
  C      -5.779030      7.819248      3.816307
  F      -6.595515      6.916078      4.411084
  C      -4.400629      7.562391      3.712313
  C      -3.696989      6.348107      4.226888
  O      -2.543339      6.115535      3.865498
  C      -4.402994      5.425725      5.227458
  C      -3.628326      8.530106      3.052477
  C      -6.681628     -6.319760      4.438162
  C      -5.816338     -5.192453      4.948768
  O      -4.594042     -5.292035      4.979311
  C      -6.486472     -3.932035      5.406840
  C      -7.873820     -3.731002      5.295840
  C      -8.448047     -2.529930      5.697303
  C      -7.627683     -1.529168      6.205966
  F      -8.224008     -0.375974      6.588541
  C      -6.239045     -1.683948      6.347184
  C      -5.287279     -0.636659      6.843521
  O      -4.136915     -0.945458      7.132835
  C      -5.743546      0.826234      6.906180
  C      -5.697525     -2.911074      5.939604
  H      -3.165190     -6.365017      1.202205
  H      -4.711452     -6.019314      2.040508
  H      -4.445125     -5.398347      0.400968
  H      -6.062388     -4.023387      1.406692
  H      -7.438746     -2.022469      1.991800
  H      -1.687549     -0.049938      3.610706
  H      -2.249795     -0.920715      5.043291
  H      -2.615905     -2.178243      3.159295
  H      -4.375364     12.531462      2.050048
  H      -4.648432     11.684220      0.519595
  H      -3.092334     12.532324      0.797920
  H      -6.032550     10.813204      2.269081
  H      -7.445428      9.106481      3.410959
  H      -4.940544      6.071662      5.949671
  H      -5.201286      4.890861      4.683735
  H      -2.555772      8.361715      2.947326
  H      -7.426605     -6.618975      5.190564
  H      -6.047812     -7.176961      4.188244
  H      -7.238849     -6.002339      3.542632
  H      -8.516362     -4.512317      4.889766
  H      -9.521164     -2.352927      5.624618
  H      -6.486363      0.917993      7.720236
  H      -6.290729      1.053347      5.980306
  H      -4.621008     -3.060962      6.028127
  N      -2.891415      3.247922      3.481079
  H      -2.494100      4.196827      3.533045
  H      -3.674573      3.279613      2.822715
  H      -2.187463      2.627739      3.074661
90
Coordinates from ORCA-job orca E -6507.955863085758
  N      -2.092892      1.171524      5.303051
  Mo     -3.523114      2.485499      5.652916
  N      -4.650599      1.749569      7.097821
  C      -4.196555      1.892614      8.482794
  C      -2.679587      1.856837      8.489020
  N      -2.181798      2.776586      7.420487
  C      -0.823302      2.386370      6.939709
  C      -0.914538      1.091134      6.144398
  C      -2.214256      4.191461      7.896292
  C      -2.497095      5.104668      6.720478
  N      -3.566395      4.491995      5.938116
  H       0.007705      0.967439      5.547430
  H      -0.973169      0.212529      6.816561
  H      -0.467342      3.202804      6.294947
  H      -0.131252      2.292121      7.792828
  H      -2.807358      6.096523      7.095990
  H      -1.590133      5.273725      6.112037
  H      -3.036537      4.270452      8.618159
  H      -1.271323      4.435775      8.410727
  H      -4.575395      1.071668      9.110890
  H      -4.577614      2.835948      8.918054
  H      -2.354764      0.839129      8.244149
  H      -2.246499      2.148986      9.460085
  C      -3.947319     -5.614040      1.355725
  C      -3.333549     -4.367523      1.940501
  O      -2.131186     -4.287924      2.164660
  C      -4.234817     -3.205517      2.252792
  C      -5.600370     -3.180674      1.919972
  C      -6.379238     -2.068809      2.240458
  C      -5.801437     -0.995312      2.898530
  F      -6.597140      0.052512      3.200650
  C      -4.430961     -0.974812      3.270141
  C      -3.810052      0.099424      4.005453
  O      -4.469913      1.150108      4.362513
  C      -2.382091      0.022580      4.472668
  C      -3.677073     -2.114175      2.912722
  C      -3.876612     11.936291      1.268131
  C      -3.270860     10.684242      1.853438
  O      -2.068215     10.460158      1.782521
  C      -4.182160      9.700210      2.533235
  C      -5.566386      9.909293      2.662265
  C      -6.367822      8.966614      3.299043
  C      -5.777670      7.818179      3.811897
  F      -6.594443      6.914609      4.405632
  C      -4.398686      7.562846      3.711861
  C      -3.695437      6.348952      4.227777
  O      -2.540858      6.117122      3.868822
  C      -4.403036      5.425991      5.226604
  C      -3.625504      8.531184      3.053866
  C      -6.680415     -6.320921      4.438421
  C      -5.815406     -5.193066      4.948389
  O      -4.592901     -5.291218      4.976100
  C      -6.486004     -3.933748      5.408695
  C      -7.873758     -3.734115      5.300967
  C      -8.448388     -2.533840      5.704312
  C      -7.627903     -1.532455      6.211505
  F      -8.224792     -0.380201      6.596037
  C      -6.238744     -1.685858      6.349466
  C      -5.286777     -0.637961      6.843891
  O      -4.135520     -0.945884      7.130781
  C      -5.743577      0.824757      6.907364
  C      -5.696842     -2.912297      5.940315
  H      -3.164915     -6.364367      1.203269
  H      -4.715086     -6.016254      2.033372
  H      -4.439134     -5.395644      0.395398
  H      -6.063068     -4.023257      1.406559
  H      -7.439810     -2.022926      1.992442
  H      -1.689216     -0.046995      3.608553
  H      -2.249436     -0.918590      5.041452
  H      -2.616599     -2.176577      3.158132
  H      -4.372477     12.531467      2.050459
  H      -4.642952     11.685552      0.518787
  H      -3.087505     12.533778      0.800355
  H      -6.030353     10.811231      2.262919
  H      -7.444436      9.103239      3.401353
  H      -4.941996      6.071752      5.947970
  H      -5.200146      4.891119      4.681175
  H      -2.552435      8.364031      2.952067
  H      -7.422825     -6.622245      5.192552
  H      -6.046038     -7.176884      4.185685
  H      -7.240685     -6.003220      3.544881
  H      -8.516349     -4.515775      4.895604
  H      -9.521829     -2.357787      5.634011
  H      -6.485722      0.915996      7.722081
  H      -6.291519      1.051755      5.981935
  H      -4.619955     -3.061040      6.026270
  N      -2.897290      3.249338      3.480587
  H      -2.495939      4.196487      3.531750
  H      -3.681947      3.283884      2.824264
  H      -2.196064      2.626693      3.073201
90
Coordinates from ORCA-job orca E -6507.955865270436
  N      -2.091163      1.172620      5.302228
  Mo     -3.521882      2.486059      5.652472
  N      -4.650071      1.749417      7.096247
  C      -4.196568      1.890775      8.481773
  C      -2.679610      1.855269      8.488535
  N      -2.181230      2.775883      7.421038
  C      -0.822433      2.386000      6.940883
  C      -0.913382      1.091482      6.144216
  C      -2.213651      4.190359      7.898226
  C      -2.495095      5.104443      6.722694
  N      -3.563672      4.492429      5.938964
  H       0.009287      0.968316      5.547740
  H      -0.972057      0.212219      6.815507
  H      -0.465532      3.202976      6.297351
  H      -0.131145      2.290505      7.794489
  H      -2.805341      6.096192      7.098466
  H      -1.587425      5.273466      6.115352
  H      -3.036307      4.268980      8.619704
  H      -1.270984      4.434088      8.413465
  H      -4.574709      1.068343      9.108384
  H      -4.578647      2.832967      8.918472
  H      -2.354923      0.837569      8.243394
  H      -2.246918      2.146723      9.459997
  C      -3.946517     -5.614554      1.358516
  C      -3.332438     -4.366932      1.940728
  O      -2.129486     -4.286017      2.161434
  C      -4.233896     -3.205307      2.253449
  C      -5.599753     -3.181075      1.921533
  C      -6.378309     -2.068808      2.241526
  C      -5.800150     -0.994748      2.898266
  F      -6.595782      0.053449      3.199701
  C      -4.429619     -0.973799      3.269456
  C      -3.808722      0.100676      4.004496
  O      -4.468469      1.151341      4.361680
  C      -2.380685      0.023771      4.471583
  C      -3.675901     -2.113352      2.912197
  C      -3.879548     11.935070      1.265543
  C      -3.273114     10.683491      1.851229
  O      -2.070307     10.460106      1.780028
  C      -4.183508      9.699862      2.532673
  C      -5.567762      9.908248      2.661961
  C      -6.368435      8.965871      3.300163
  C      -5.777317      7.818523      3.814312
  F      -6.593036      6.915350      4.410001
  C      -4.398221      7.563626      3.713590
  C      -3.694451      6.349875      4.229141
  O      -2.540390      6.117787      3.868725
  C      -4.401000      5.426737      5.228682
  C      -3.625798      8.531643      3.054147
  C      -6.683375     -6.321384      4.439048
  C      -5.817971     -5.193707      4.948868
  O      -4.595542     -5.292839      4.977585
  C      -6.488008     -3.933753      5.408120
  C      -7.875534     -3.733254      5.299811
  C      -8.449580     -2.532365      5.702281
  C      -7.628570     -1.531215      6.209112
  F      -8.224827     -0.378351      6.592664
  C      -6.239539     -1.685472      6.347631
  C      -5.287120     -0.637921      6.841608
  O      -4.136486     -0.946460      7.130511
  C      -5.743228      0.825059      6.904841
  C      -5.698242     -2.912518      5.939477
  H      -3.164628     -6.366196      1.209877
  H      -4.716938     -6.014306      2.034559
  H      -4.435198     -5.397612      0.396153
  H      -6.062846     -4.024251      1.409434
  H      -7.439093     -2.023217      1.994257
  H      -1.687890     -0.045817      3.607413
  H      -2.248208     -0.917717      5.039889
  H      -2.615147     -2.175135      3.156655
  H      -4.374146     12.530795      2.048323
  H      -4.647169     11.684013      0.517595
  H      -3.091170     12.532220      0.796125
  H      -6.032467     10.809556      2.261981
  H      -7.445087      9.102007      3.402912
  H      -4.938631      6.072622      5.950962
  H      -5.199054      4.892370      4.684202
  H      -2.552698      8.364892      2.952022
  H      -7.425643     -6.622463      5.193481
  H      -6.049378     -7.177616      4.186255
  H      -7.243980     -6.003704      3.545692
  H      -8.518418     -4.514715      4.894460
  H      -9.522880     -2.355590      5.631470
  H      -6.485929      0.916762      7.719020
  H      -6.290251      1.052023      5.978836
  H      -4.621498     -3.061985      6.026022
  N      -2.897323      3.251240      3.479990
  H      -2.495504      4.198238      3.531185
  H      -3.682556      3.285753      2.824467
  H      -2.195577      2.628945      3.072991
90
Coordinates from ORCA-job orca E -6507.955865801106
  N      -2.091457      1.173557      5.301279
  Mo     -3.522763      2.486216      5.652612
  N      -4.650223      1.748913      7.096416
  C      -4.196438      1.890169      8.481947
  C      -2.679480      1.855222      8.488240
  N      -2.181680      2.776204      7.420784
  C      -0.822908      2.386736      6.940242
  C      -0.913701      1.092382      6.143263
  C      -2.214305      4.190541      7.898402
  C      -2.496037      5.104840      6.723117
  N      -3.564252      4.492598      5.939122
  H       0.009040      0.969499      5.546830
  H      -0.972154      0.212942      6.814337
  H      -0.466201      3.203946      6.296904
  H      -0.131421      2.291063      7.793673
  H      -2.806528      6.096450      7.099057
  H      -1.588361      5.274326      6.115882
  H      -3.036815      4.268747      8.620090
  H      -1.271604      4.434307      8.413547
  H      -4.573920      1.067372      9.108458
  H      -4.578919      2.832073      8.918894
  H      -2.354607      0.837625      8.242939
  H      -2.246628      2.146600      9.459654
  C      -3.947383     -5.614472      1.359355
  C      -3.333183     -4.366476      1.940606
  O      -2.129977     -4.284954      2.159715
  C      -4.234730     -3.205128      2.253879
  C      -5.600673     -3.181212      1.922379
  C      -6.379326     -2.069029      2.242541
  C      -5.801160     -0.994916      2.899141
  F      -6.596989      0.053143      3.200657
  C      -4.430519     -0.973705      3.270026
  C      -3.809728      0.100895      4.004860
  O      -4.469638      1.151371      4.362376
  C      -2.381374      0.024430      4.471093
  C      -3.676714     -2.113089      2.912445
  C      -3.877384     11.935552      1.266443
  C      -3.271512     10.683512      1.851716
  O      -2.068659     10.460119      1.781310
  C      -4.182421      9.699778      2.532308
  C      -5.566678      9.908362      2.660954
  C      -6.367791      8.966073      3.298750
  C      -5.777060      7.818690      3.813237
  F      -6.593227      6.915667      4.408504
  C      -4.397912      7.563554      3.713119
  C      -3.694434      6.349812      4.229134
  O      -2.539902      6.118151      3.869983
  C      -4.401457      5.426583      5.228404
  C      -3.625109      8.531463      3.053990
  C      -6.681376     -6.321554      4.438273
  C      -5.816308     -5.193982      4.948927
  O      -4.593887     -5.292999      4.978037
  C      -6.486693     -3.934232      5.408211
  C      -7.874211     -3.733941      5.299463
  C      -8.448607     -2.533249      5.702036
  C      -7.627932     -1.532045      6.209362
  F      -8.224382     -0.379307      6.592881
  C      -6.238940     -1.686124      6.348371
  C      -5.286976     -0.638500      6.842949
  O      -4.136195     -0.946703      7.131636
  C      -5.743345      0.824434      6.905470
  C      -5.697288     -2.912948      5.940016
  H      -3.165806     -6.366796      1.212562
  H      -4.719243     -6.012972      2.034450
  H      -4.434283     -5.398050      0.395935
  H      -6.063818     -4.024630      1.410726
  H      -7.440187     -2.023617      1.995580
  H      -1.689112     -0.045408      3.606534
  H      -2.248408     -0.916943      5.039490
  H      -2.615854     -2.174622      3.156498
  H      -4.372045     12.530915      2.049468
  H      -4.644882     11.685240      0.518128
  H      -3.088675     12.532744      0.797644
  H      -6.031082     10.809663      2.260617
  H      -7.444479      9.102323      3.400913
  H      -4.939314      6.072563      5.950430
  H      -5.199386      4.892173      4.683807
  H      -2.551995      8.364534      2.952292
  H      -7.423636     -6.623308      5.192453
  H      -6.047183     -7.177494      4.184990
  H      -7.242027     -6.003446      3.545102
  H      -8.516796     -4.515484      4.893789
  H      -9.521924     -2.356691      5.630982
  H      -6.486016      0.916484      7.719638
  H      -6.290399      1.050823      5.979332
  H      -4.620561     -3.062302      6.026934
  N      -2.900373      3.251400      3.479170
  H      -2.498943      4.198656      3.529409
  H      -3.686099      3.284797      2.824214
  H      -2.198436      2.628938      3.072807
